CID 140455872

5-amino-1,2,4-triazol-3-one

Structural Information

Molecular Formula
C2H2N4O
SMILES
C1(=N)NC(=O)N=N1
InChI
InChI=1S/C2H2N4O/c3-1-4-2(7)6-5-1/h(H2,3,4,7)
InChIKey
RKRHHKAVLKVARQ-UHFFFAOYSA-N
Compound name
5-imino-1,2,4-triazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

98.02286 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.030136 115.0
[M+Na]+ 121.01208 124.4
[M-H]- 97.015584 113.7
[M+NH4]+ 116.05668 134.9
[M+K]+ 136.98602 122.8
[M+H-H2O]+ 81.020120 107.9
[M+HCOO]- 143.02106 137.2
[M+CH3COO]- 157.03671 162.4
[M+Na-2H]- 118.99753 122.4
[M]+ 98.022311 110.8
[M]- 98.023409 110.8
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

No patent data available for this compound.