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]+ 235.071336 148.5
[M+Na]+ 257.053278 157.9
[M-H]- 233.056784 149.5
[M+NH4]+ 252.097883 165.9
[M+K]+ 273.027218 154.9
[M+H-H2O]+ 217.061320 141.8
[M+HCOO]- 279.062261 167.8
[M+CH3COO]- 293.077911 188.1
[M+Na-2H]- 255.038726 151.7
[M]+ 234.06351142 150.6
[M]- 234.06460858 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.