CID 11098

N-methyldiphenylamine

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

4
References

14880
Patents

183.1048 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.112076 138.9
[M+Na]+ 206.094018 145.3
[M-H]- 182.097524 146.8
[M+NH4]+ 201.138623 158.7
[M+K]+ 222.067958 142.9
[M+H-H2O]+ 166.102060 131.4
[M+HCOO]- 228.103001 165.2
[M+CH3COO]- 242.118651 187.4
[M+Na-2H]- 204.079466 147.2
[M]+ 183.10425142 138.1
[M]- 183.10534858 138.1
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