CID 20536697

107622-08-2

Structural Information

Molecular Formula
C14H15N
SMILES
CC1=C(C=C(C=C1)N)C2=CC=CC=C2C
InChI
InChI=1S/C14H15N/c1-10-5-3-4-6-13(10)14-9-12(15)8-7-11(14)2/h3-9H,15H2,1-2H3
InChIKey
ZRMJQLDEVUBFHG-UHFFFAOYSA-N
Compound name
4-methyl-3-(2-methylphenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

197.12045 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12773 143.5
[M+Na]+ 220.10967 152.3
[M-H]- 196.11317 150.6
[M+NH4]+ 215.15427 162.9
[M+K]+ 236.08361 148.0
[M+H-H2O]+ 180.11771 136.8
[M+HCOO]- 242.11865 168.4
[M+CH3COO]- 256.13430 189.6
[M+Na-2H]- 218.09512 148.9
[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