CID 7681

N,n-dimethylbenzylamine

Structural Information

Molecular Formula

C₉H₁₃N

SMILES

CN(C)CC1=CC=CC=C1

InChI

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

InChIKey

XXBDWLFCJWSEKW-UHFFFAOYSA-N

Compound name

N,N-dimethyl-1-phenylmethanamine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 81
References: 160689
Patents: 135.1048 Da
Monoisotopic Mass: 2.0
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]+	136.112076	127.7
[M+Na]+	158.094018	134.5
[M-H]-	134.097524	132.8
[M+NH4]+	153.138623	150.0
[M+K]+	174.067958	134.0
[M+H-H2O]+	118.102060	121.8
[M+HCOO]-	180.103001	153.9
[M+CH3COO]-	194.118651	179.8
[M+Na-2H]-	156.079466	135.6
[M]+	135.10425142	128.2
[M]-	135.10534858	128.2

Literature stripe

literature stripe

Patent stripe

patents stripe