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

14
Patents

187.0858 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.093076 135.8
[M+Na]+ 210.075018 143.7
[M-H]- 186.078524 141.3
[M+NH4]+ 205.119623 153.9
[M+K]+ 226.048958 140.6
[M+H-H2O]+ 170.083060 126.7
[M+HCOO]- 232.084001 164.3
[M+CH3COO]- 246.099651 149.3
[M+Na-2H]- 208.060466 144.4
[M]+ 187.08525142 133.4
[M]- 187.08634858 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