CID 56828914

1322604-76-1

Structural Information

Molecular Formula
C11H10N2O4
SMILES
C1=CN=CC2=C1C(=O)N(C2=O)CCCC(=O)O
InChI
InChI=1S/C11H10N2O4/c14-9(15)2-1-5-13-10(16)7-3-4-12-6-8(7)11(13)17/h3-4,6H,1-2,5H2,(H,14,15)
InChIKey
NMADBICZDWMUPC-UHFFFAOYSA-N
Compound name
4-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.06406 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.07134 148.5
[M+Na]+ 257.05328 157.9
[M-H]- 233.05678 149.5
[M+NH4]+ 252.09788 165.9
[M+K]+ 273.02722 154.9
[M+H-H2O]+ 217.06132 141.8
[M+HCOO]- 279.06226 167.8
[M+CH3COO]- 293.07791 188.1
[M+Na-2H]- 255.03873 151.7
[M]+ 234.06351 150.6
[M]- 234.06461 150.6
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.