CID 7242

O-toluidine

Structural Information

Molecular Formula

SMILES

CC1=CC=CC=C1N

InChI

InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3

InChIKey

RNVCVTLRINQCPJ-UHFFFAOYSA-N

Compound name

2-methylaniline

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 3220
References: 83295
Patents: 107.0735 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]+	108.08078	118.9
[M+Na]+	130.06272	132.2
[M+NH4]+	125.10732	128.9
[M+K]+	146.03666	125.4
[M-H]-	106.06622	122.6
[M+Na-2H]-	128.04817	127.4
[M]+	107.07295	121.8
[M]-	107.07405	121.8

Literature stripe

literature stripe

Patent stripe

patents stripe