CID 139598054

Triazolinone-carboxamide

Structural Information

Molecular Formula
C5H8N4O3
SMILES
CN1C(=NN(C1=O)C(=O)N)OC
InChI
InChI=1S/C5H8N4O3/c1-8-4(12-2)7-9(3(6)10)5(8)11/h1-2H3,(H2,6,10)
InChIKey
YNLLGVZBBOCBRV-UHFFFAOYSA-N
Compound name
3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

172.05965 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.066926 131.9
[M+Na]+ 195.048868 143.0
[M-H]- 171.052374 132.5
[M+NH4]+ 190.093473 150.0
[M+K]+ 211.022808 142.3
[M+H-H2O]+ 155.056910 124.7
[M+HCOO]- 217.057851 155.0
[M+CH3COO]- 231.073501 180.1
[M+Na-2H]- 193.034316 135.8
[M]+ 172.05910142 134.1
[M]- 172.06019858 134.1
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.