CID 14569

3-methyldiphenylamine

Structural Information

Molecular Formula
C13H13N
SMILES
CC1=CC(=CC=C1)NC2=CC=CC=C2
InChI
InChI=1S/C13H13N/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10,14H,1H3
InChIKey
TWPMMLHBHPYSMT-UHFFFAOYSA-N
Compound name
3-methyl-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

1785
Patents

183.1048 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.11208 138.5
[M+Na]+ 206.09402 145.7
[M-H]- 182.09752 145.3
[M+NH4]+ 201.13862 158.0
[M+K]+ 222.06796 142.0
[M+H-H2O]+ 166.10206 131.5
[M+HCOO]- 228.10300 164.3
[M+CH3COO]- 242.11865 185.0
[M+Na-2H]- 204.07947 146.9
[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