CID 388164

Nsc682728

Structural Information

Molecular Formula
C8H10N4O3
SMILES
CC1=NNC(=O)N1N2C(=O)CCCC2=O
InChI
InChI=1S/C8H10N4O3/c1-5-9-10-8(15)11(5)12-6(13)3-2-4-7(12)14/h2-4H2,1H3,(H,10,15)
InChIKey
HTRJXAJHLXMVMP-UHFFFAOYSA-N
Compound name
1-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.07529 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08257 144.9
[M+Na]+ 233.06451 154.9
[M-H]- 209.06801 145.6
[M+NH4]+ 228.10911 159.5
[M+K]+ 249.03845 151.5
[M+H-H2O]+ 193.07255 136.5
[M+HCOO]- 255.07349 162.0
[M+CH3COO]- 269.08914 182.3
[M+Na-2H]- 231.04996 146.8
[M]+ 210.07474 142.3
[M]- 210.07584 142.3
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.