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

14
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

No literature data available for this compound.

Patent stripe

patents stripe