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

30
Patents

197.12045 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12773 143.0
[M+Na]+ 220.10967 150.8
[M-H]- 196.11317 150.1
[M+NH4]+ 215.15427 162.3
[M+K]+ 236.08361 146.8
[M+H-H2O]+ 180.11771 136.0
[M+HCOO]- 242.11865 168.5
[M+CH3COO]- 256.13430 189.1
[M+Na-2H]- 218.09512 150.2
[M]+ 197.11990 142.2
[M]- 197.12100 142.2
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