CID 389963

762210-81-1

Structural Information

Molecular Formula
C4H6N4O2
SMILES
CNC(=O)C1=NNNC1=O
InChI
InChI=1S/C4H6N4O2/c1-5-3(9)2-4(10)7-8-6-2/h1H3,(H,5,9)(H2,6,7,8,10)
InChIKey
HWLJEDMYEMYVGH-UHFFFAOYSA-N
Compound name
N-methyl-5-oxo-1,2-dihydrotriazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

142.04907 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.05635 126.5
[M+Na]+ 165.03829 135.4
[M-H]- 141.04179 124.2
[M+NH4]+ 160.08289 144.1
[M+K]+ 181.01223 133.1
[M+H-H2O]+ 125.04633 119.3
[M+HCOO]- 187.04727 147.3
[M+CH3COO]- 201.06292 168.1
[M+Na-2H]- 163.02374 132.2
[M]+ 142.04852 123.4
[M]- 142.04962 123.4
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