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]+ 173.06693 131.9
[M+Na]+ 195.04887 143.0
[M-H]- 171.05237 132.5
[M+NH4]+ 190.09347 150.0
[M+K]+ 211.02281 142.3
[M+H-H2O]+ 155.05691 124.7
[M+HCOO]- 217.05785 155.0
[M+CH3COO]- 231.07350 180.1
[M+Na-2H]- 193.03432 135.8
[M]+ 172.05910 134.1
[M]- 172.06020 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.