CID 7504

Benzylamine

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)CN

InChI

InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2

InChIKey

WGQKYBSKWIADBV-UHFFFAOYSA-N

Compound name

phenylmethanamine

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 927
References: 79403
Patents: 107.0735 Da
Monoisotopic Mass: 1.1
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]+	108.08078	118.9
[M+Na]+	130.06272	126.4
[M-H]-	106.06622	122.3
[M+NH4]+	125.10732	141.4
[M+K]+	146.03666	124.6
[M+H-H2O]+	90.070760	113.6
[M+HCOO]-	152.07170	144.6
[M+CH3COO]-	166.08735	169.4
[M+Na-2H]-	128.04817	127.6
[M]+	107.07295	116.4
[M]-	107.07405	116.4

Literature stripe

literature stripe

Patent stripe

patents stripe