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]+ 227.07582 147.3
[M+Na]+ 249.05776 158.2
[M+NH4]+ 244.10236 153.2
[M+K]+ 265.03170 155.7
[M-H]- 225.06126 147.6
[M+Na-2H]- 247.04321 152.3
[M]+ 226.06799 148.5
[M]- 226.06909 148.5
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.