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

120
Patents

183.1048 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe