CID 68509

Cumylamine

Structural Information

Molecular Formula

C₉H₁₃N

SMILES

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

InChI

InChI=1S/C9H13N/c1-9(2,10)8-6-4-3-5-7-8/h3-7H,10H2,1-2H3

InChIKey

KDFDOINBXBEOLZ-UHFFFAOYSA-N

Compound name

2-phenylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 20819
Patents: 135.1048 Da
Monoisotopic Mass: 1.6
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]+	136.112076	128.3
[M+Na]+	158.094018	135.4
[M-H]-	134.097524	131.7
[M+NH4]+	153.138623	149.8
[M+K]+	174.067958	133.6
[M+H-H2O]+	118.102060	123.3
[M+HCOO]-	180.103001	151.8
[M+CH3COO]-	194.118651	175.8
[M+Na-2H]-	156.079466	136.5
[M]+	135.10425142	126.1
[M]-	135.10534858	126.1

Literature stripe

literature stripe

Patent stripe

patents stripe