CID 6993

2-methylbenzylamine

Structural Information

Molecular Formula

C₈H₁₁N

SMILES

CC1=CC=CC=C1CN

InChI

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

InChIKey

CJAAPVQEZPAQNI-UHFFFAOYSA-N

Compound name

(2-methylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 5
References: 5071
Patents: 121.08915 Da
Monoisotopic Mass: 1.3
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	123.3
[M+Na]+	144.07837	131.3
[M-H]-	120.08187	126.9
[M+NH4]+	139.12297	145.5
[M+K]+	160.05231	129.3
[M+H-H2O]+	104.08641	118.0
[M+HCOO]-	166.08735	148.6
[M+CH3COO]-	180.10300	173.5
[M+Na-2H]-	142.06382	130.7
[M]+	121.08860	121.5
[M]-	121.08970	121.5

Literature stripe

literature stripe

Patent stripe

patents stripe