CID 135436542

930-33-6

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
4
Annotation Hits

18
References

2931
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 112.2
[M+Na]+ 108.01683 123.2
[M+NH4]+ 103.06143 119.0
[M+K]+ 123.99077 120.8
[M-H]- 84.020334 110.3
[M+Na-2H]- 106.00228 117.5
[M]+ 85.027061 112.8
[M]- 85.028159 112.8
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

patents stripe