CID 12383342

2-methyl-n-(m-tolyl)aniline

Structural Information

Molecular Formula

C₁₄H₁₅N

SMILES

CC1=CC(=CC=C1)NC2=CC=CC=C2C

InChI

InChI=1S/C14H15N/c1-11-6-5-8-13(10-11)15-14-9-4-3-7-12(14)2/h3-10,15H,1-2H3

InChIKey

BAWMCGDLFJGWSX-UHFFFAOYSA-N

Compound name

2-methyl-N-(3-methylphenyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 197.12045 Da
Monoisotopic Mass: 4.2
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]+	198.12773	144.6
[M+Na]+	220.10967	160.2
[M+NH4]+	215.15427	154.9
[M+K]+	236.08361	151.2
[M-H]-	196.11317	151.2
[M+Na-2H]-	218.09512	155.8
[M]+	197.11990	149.0
[M]-	197.12100	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe