CID 113133

Einecs 264-010-9

Structural Information

Molecular Formula
C13H13N3O
SMILES
CC1=C(C=CC(=C1)O)N=NC2=CC=C(C=C2)N
InChI
InChI=1S/C13H13N3O/c1-9-8-12(17)6-7-13(9)16-15-11-4-2-10(14)3-5-11/h2-8,17H,14H2,1H3
InChIKey
DBCJYQPYIOLAEU-UHFFFAOYSA-N
Compound name
4-[(4-aminophenyl)diazenyl]-3-methylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

26
Patents

227.10587 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.113146 149.2
[M+Na]+ 250.095088 157.3
[M-H]- 226.098594 157.6
[M+NH4]+ 245.139693 167.2
[M+K]+ 266.069028 154.1
[M+H-H2O]+ 210.103130 141.2
[M+HCOO]- 272.104071 178.3
[M+CH3COO]- 286.119721 199.9
[M+Na-2H]- 248.080536 156.2
[M]+ 227.10532142 148.6
[M]- 227.10641858 148.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe