CID 135398514

140651-18-9

Structural Information

Molecular Formula
C9H10N6O
SMILES
C1=CC(=CC=C1N=NC2=C(NN=C2N)N)O
InChI
InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)
InChIKey
AYZRKFOEZQBUEA-UHFFFAOYSA-N
Compound name
4-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

213
Patents

218.09161 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.09889 143.0
[M+Na]+ 241.08083 151.3
[M-H]- 217.08433 147.6
[M+NH4]+ 236.12543 159.1
[M+K]+ 257.05477 147.7
[M+H-H2O]+ 201.08887 134.1
[M+HCOO]- 263.08981 170.5
[M+CH3COO]- 277.10546 195.7
[M+Na-2H]- 239.06628 149.3
[M]+ 218.09106 139.3
[M]- 218.09216 139.3
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