CID 4076920

2-{1,3-dioxo-1h,2h,3h-pyrrolo[3,4-c]pyridin-2-yl}acetic acid

Structural Information

Molecular Formula
C9H6N2O4
SMILES
C1=CN=CC2=C1C(=O)N(C2=O)CC(=O)O
InChI
InChI=1S/C9H6N2O4/c12-7(13)4-11-8(14)5-1-2-10-3-6(5)9(11)15/h1-3H,4H2,(H,12,13)
InChIKey
DPYUWQXDKQQQRE-UHFFFAOYSA-N
Compound name
2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

206.03276 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.040036 139.2
[M+Na]+ 229.021978 149.5
[M-H]- 205.025484 140.6
[M+NH4]+ 224.066583 157.8
[M+K]+ 244.995918 147.0
[M+H-H2O]+ 189.030020 132.9
[M+HCOO]- 251.030961 159.3
[M+CH3COO]- 265.046611 182.1
[M+Na-2H]- 227.007426 143.5
[M]+ 206.03221142 140.6
[M]- 206.03330858 140.6
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

patents stripe