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]+ 207.04004 139.2
[M+Na]+ 229.02198 149.5
[M-H]- 205.02548 140.6
[M+NH4]+ 224.06658 157.8
[M+K]+ 244.99592 147.0
[M+H-H2O]+ 189.03002 132.9
[M+HCOO]- 251.03096 159.3
[M+CH3COO]- 265.04661 182.1
[M+Na-2H]- 227.00743 143.5
[M]+ 206.03221 140.6
[M]- 206.03331 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