CID 62966813

2731008-00-5

Structural Information

Molecular Formula

C₁₂H₁₉N

SMILES

CC(C)(CCNC)C1=CC=CC=C1

InChI

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

InChIKey

ILTOPEGULLDCEU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 177.15175 Da
Monoisotopic Mass: 3.0
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	142.5
[M+Na]+	200.14097	154.3
[M+NH4]+	195.18557	151.6
[M+K]+	216.11491	147.1
[M-H]-	176.14447	145.5
[M+Na-2H]-	198.12642	150.1
[M]+	177.15120	145.1
[M]-	177.15230	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe