CID 410085

3-methylphenethylamine

Structural Information

Molecular Formula

C₉H₁₃N

SMILES

CC1=CC(=CC=C1)CCN

InChI

InChI=1S/C9H13N/c1-8-3-2-4-9(7-8)5-6-10/h2-4,7H,5-6,10H2,1H3

InChIKey

GUERDLPJJJMIEU-UHFFFAOYSA-N

Compound name

2-(3-methylphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 719
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]+	136.11208	128.0
[M+Na]+	158.09402	140.9
[M+NH4]+	153.13862	137.7
[M+K]+	174.06796	133.6
[M-H]-	134.09752	131.7
[M+Na-2H]-	156.07947	135.9
[M]+	135.10425	130.9
[M]-	135.10535	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe