CID 74082

1573-51-9

Structural Information

Molecular Formula
C9H9N5
SMILES
C1=CC(=CC=C1N)N=NC2=NC=CN2
InChI
InChI=1S/C9H9N5/c10-7-1-3-8(4-2-7)13-14-9-11-5-6-12-9/h1-6H,10H2,(H,11,12)
InChIKey
BDHZGIMWZQCLOF-UHFFFAOYSA-N
Compound name
4-(1H-imidazol-2-yldiazenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

187.0858 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.09308 135.8
[M+Na]+ 210.07502 143.7
[M-H]- 186.07852 141.3
[M+NH4]+ 205.11962 153.9
[M+K]+ 226.04896 140.6
[M+H-H2O]+ 170.08306 126.7
[M+HCOO]- 232.08400 164.3
[M+CH3COO]- 246.09965 149.3
[M+Na-2H]- 208.06047 144.4
[M]+ 187.08525 133.4
[M]- 187.08635 133.4
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