CID 386604

125810-59-5

Structural Information

Molecular Formula
C4H7N7O2
SMILES
C1(=NNN=C1C(=O)NN)C(=O)NN
InChI
InChI=1S/C4H7N7O2/c5-7-3(12)1-2(4(13)8-6)10-11-9-1/h5-6H2,(H,7,12)(H,8,13)(H,9,10,11)
InChIKey
YFGFXLNOZXMDSD-UHFFFAOYSA-N
Compound name
2H-triazole-4,5-dicarbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

185.06612 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07340 134.4
[M+Na]+ 208.05534 140.8
[M-H]- 184.05884 133.0
[M+NH4]+ 203.09994 149.3
[M+K]+ 224.02928 139.5
[M+H-H2O]+ 168.06338 125.7
[M+HCOO]- 230.06432 157.7
[M+CH3COO]- 244.07997 185.9
[M+Na-2H]- 206.04079 139.3
[M]+ 185.06557 128.3
[M]- 185.06667 128.3
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