CID 384781

Nsc675216

Structural Information

Molecular Formula
C4H10N6O
SMILES
C(CNN)C1=NNC(=O)N1N
InChI
InChI=1S/C4H10N6O/c5-7-2-1-3-8-9-4(11)10(3)6/h7H,1-2,5-6H2,(H,9,11)
InChIKey
YPUVCRHGWOZRMD-UHFFFAOYSA-N
Compound name
4-amino-3-(2-hydrazinylethyl)-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.09161 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.09889 129.6
[M+Na]+ 181.08083 138.1
[M-H]- 157.08433 128.0
[M+NH4]+ 176.12543 146.4
[M+K]+ 197.05477 135.5
[M+H-H2O]+ 141.08887 121.5
[M+HCOO]- 203.08981 153.3
[M+CH3COO]- 217.10546 179.6
[M+Na-2H]- 179.06628 135.3
[M]+ 158.09106 125.3
[M]- 158.09216 125.3
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

No patent data available for this compound.