CID 2760675

21732-98-9

Structural Information

Molecular Formula
C3H5N5O
SMILES
C1=NNC(=N1)C(=O)NN
InChI
InChI=1S/C3H5N5O/c4-7-3(9)2-5-1-6-8-2/h1H,4H2,(H,7,9)(H,5,6,8)
InChIKey
BKTBECSWYCHYID-UHFFFAOYSA-N
Compound name
1H-1,2,4-triazole-5-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

127.04941 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.05669 122.1
[M+Na]+ 150.03863 129.8
[M-H]- 126.04213 120.5
[M+NH4]+ 145.08323 140.1
[M+K]+ 166.01257 128.4
[M+H-H2O]+ 110.04667 114.1
[M+HCOO]- 172.04761 144.8
[M+CH3COO]- 186.06326 169.5
[M+Na-2H]- 148.02408 129.1
[M]+ 127.04886 117.7
[M]- 127.04996 117.7
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