CID 71308877

1173023-69-2

Structural Information

Molecular Formula
C10H8N2O4
SMILES
C1CC(=O)N(C1=O)O[13C](=O)[13C]2=[13CH]N=[13CH][13CH]=[13CH]2
InChI
InChI=1S/C10H8N2O4/c13-8-3-4-9(14)12(8)16-10(15)7-2-1-5-11-6-7/h1-2,5-6H,3-4H2/i1+1,2+1,5+1,6+1,7+1,10+1
InChIKey
CWBHSNGMXKJGSM-MCDWIBCPSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) (2,3,4,5,6-13C5)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.06854 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.075816 144.9
[M+Na]+ 249.057758 153.1
[M-H]- 225.061264 149.2
[M+NH4]+ 244.102363 161.8
[M+K]+ 265.031698 151.5
[M+H-H2O]+ 209.065800 136.9
[M+HCOO]- 271.066741 166.2
[M+CH3COO]- 285.082391 184.5
[M+Na-2H]- 247.043206 147.9
[M]+ 226.06799142 145.2
[M]- 226.06908858 145.2
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.