CID 1515982

400745-54-2

Structural Information

Molecular Formula

C₁₃H₁₃N

SMILES

CC1=CC=CC=C1C2=CC(=CC=C2)N

InChI

InChI=1S/C13H13N/c1-10-5-2-3-8-13(10)11-6-4-7-12(14)9-11/h2-9H,14H2,1H3

InChIKey

VSKSSQACZWHPED-UHFFFAOYSA-N

Compound name

3-(2-methylphenyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 104
Patents: 183.1048 Da
Monoisotopic Mass: 3.0
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]+	184.11208	140.2
[M+Na]+	206.09402	155.7
[M+NH4]+	201.13862	150.5
[M+K]+	222.06796	147.1
[M-H]-	182.09752	146.6
[M+Na-2H]-	204.07947	151.1
[M]+	183.10425	144.4
[M]-	183.10535	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe