CID 1207241

1203-41-4

Structural Information

Molecular Formula

C₁₃H₁₃N

SMILES

CC1=CC=CC=C1C2=CC=CC=C2N

InChI

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

InChIKey

JISVTVYXQCPMEN-UHFFFAOYSA-N

Compound name

2-(2-methylphenyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 562
Patents: 183.1048 Da
Monoisotopic Mass: 3.2
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]+	184.11208	139.1
[M+Na]+	206.09402	147.3
[M-H]-	182.09752	145.8
[M+NH4]+	201.13862	158.7
[M+K]+	222.06796	143.2
[M+H-H2O]+	166.10206	132.3
[M+HCOO]-	228.10300	164.3
[M+CH3COO]-	242.11865	185.4
[M+Na-2H]-	204.07947	145.7
[M]+	183.10425	136.9
[M]-	183.10535	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe