CID 135436542

4,5-dihydro-1h-1,2,4-triazol-5-one

Structural Information

Molecular Formula
C2H3N3O
SMILES
C1=NNC(=O)N1
InChI
InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)
InChIKey
LZTSCEYDCZBRCJ-UHFFFAOYSA-N
Compound name
1,4-dihydro-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

18
References

4143
Patents

85.02761 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 86.034886 111.4
[M+Na]+ 108.01683 121.2
[M-H]- 84.020334 108.7
[M+NH4]+ 103.06143 131.5
[M+K]+ 123.99077 119.2
[M+H-H2O]+ 68.024870 104.7
[M+HCOO]- 130.02581 132.4
[M+CH3COO]- 144.04146 154.5
[M+Na-2H]- 106.00228 119.7
[M]+ 85.027061 107.9
[M]- 85.028159 107.9
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.