CID 21941691

3,3-dimethyl-1-phenylbutan-1-amine

Structural Information

Molecular Formula

C₁₂H₁₉N

SMILES

CC(C)(C)CC(C1=CC=CC=C1)N

InChI

InChI=1S/C12H19N/c1-12(2,3)9-11(13)10-7-5-4-6-8-10/h4-8,11H,9,13H2,1-3H3

InChIKey

XWNKOGFRWAPVGE-UHFFFAOYSA-N

Compound name

3,3-dimethyl-1-phenylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 177.15175 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	178.15903	142.9
[M+Na]+	200.14097	154.1
[M+NH4]+	195.18557	151.7
[M+K]+	216.11491	147.9
[M-H]-	176.14447	145.5
[M+Na-2H]-	198.12642	149.7
[M]+	177.15120	145.3
[M]-	177.15230	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe