CID 12874

722-25-8

Structural Information

Molecular Formula
C13H13N3
SMILES
CC1=CC=C(C=C1)N=NC2=CC=C(C=C2)N
InChI
InChI=1S/C13H13N3/c1-10-2-6-12(7-3-10)15-16-13-8-4-11(14)5-9-13/h2-9H,14H2,1H3
InChIKey
PBKCJNOFHGLNEZ-UHFFFAOYSA-N
Compound name
4-[(4-methylphenyl)diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

211.11095 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.118226 145.4
[M+Na]+ 234.100168 153.1
[M-H]- 210.103674 154.8
[M+NH4]+ 229.144773 164.5
[M+K]+ 250.074108 150.1
[M+H-H2O]+ 194.108210 137.2
[M+HCOO]- 256.109151 175.8
[M+CH3COO]- 270.124801 199.0
[M+Na-2H]- 232.085616 153.7
[M]+ 211.11040142 144.8
[M]- 211.11149858 144.8
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