CID 97772

33132-91-1

Structural Information

Molecular Formula

C₁₂H₁₉N

SMILES

CCC(CN(C)C)C1=CC=CC=C1

InChI

InChI=1S/C12H19N/c1-4-11(10-13(2)3)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3

InChIKey

UMAKZNFESLTKKX-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-phenylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
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	142.4
[M+Na]+	200.14097	147.5
[M-H]-	176.14447	146.9
[M+NH4]+	195.18557	162.8
[M+K]+	216.11491	146.8
[M+H-H2O]+	160.14901	135.8
[M+HCOO]-	222.14995	166.5
[M+CH3COO]-	236.16560	189.7
[M+Na-2H]-	198.12642	147.3
[M]+	177.15120	143.2
[M]-	177.15230	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe