CID 7669

N-methylbenzylamine

Structural Information

Molecular Formula

C₈H₁₁N

SMILES

CNCC1=CC=CC=C1

InChI

InChI=1S/C8H11N/c1-9-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3

InChIKey

RIWRFSMVIUAEBX-UHFFFAOYSA-N

Compound name

N-methyl-1-phenylmethanamine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 57
References: 40063
Patents: 121.08915 Da
Monoisotopic Mass: 1.5
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]+	122.09643	123.0
[M+Na]+	144.07837	130.0
[M-H]-	120.08187	126.7
[M+NH4]+	139.12297	145.2
[M+K]+	160.05231	128.4
[M+H-H2O]+	104.08641	117.5
[M+HCOO]-	166.08735	149.0
[M+CH3COO]-	180.10300	173.2
[M+Na-2H]-	142.06382	132.2
[M]+	121.08860	121.8
[M]-	121.08970	121.8

Literature stripe

literature stripe

Patent stripe

patents stripe