Metabolite 2-dimethylamino-2-phenylbutan-1-ol

Name

2-dimethylamino-2-phenylbutan-1-ol

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

IM2T99PCL3

CAS number

Not Available

Weight

Average: 193.29
Monoisotopic: 193.146664236

Chemical Formula

C₁₂H₁₉NO

InChI Key

JDCWNZJOVSBOLK-UHFFFAOYSA-N

InChI

InChI=1S/C12H19NO/c1-4-12(10-14,13(2)3)11-8-6-5-7-9-11/h5-9,14H,4,10H2,1-3H3

IUPAC Name

2-(dimethylamino)-2-phenylbutan-1-ol

SMILES

CCC(CO)(N(C)C)C1=CC=CC=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0007-4900000000-f0dcaa16fef9ff17db84
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-0900000000-bdbb15c05dcb4aafe5d8
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-02u1-0900000000-fc0ee2ffef2fd1290c4c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000b-9600000000-649bc384c9ca102d618e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-0900000000-9cb8f161412728863732
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00ls-3900000000-353ac755204956a0b420

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	146.91988	predicted	DeepCCS 1.0 (2019)
[M+H]+	150.552	predicted	DeepCCS 1.0 (2019)
[M+Na]+	159.46346	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties