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: 12
Patents: 227.10587 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	228.11315	149.2
[M+Na]+	250.09509	157.3
[M-H]-	226.09859	157.6
[M+NH4]+	245.13969	167.2
[M+K]+	266.06903	154.1
[M+H-H2O]+	210.10313	141.2
[M+HCOO]-	272.10407	178.3
[M+CH3COO]-	286.11972	199.9
[M+Na-2H]-	248.08054	156.2
[M]+	227.10532	148.6
[M]-	227.10642	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe