CID 4076920

36239-69-7

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	207.04004	141.7
[M+Na]+	229.02198	152.6
[M+NH4]+	224.06658	147.6
[M+K]+	244.99592	150.7
[M-H]-	205.02548	140.1
[M+Na-2H]-	227.00743	144.4
[M]+	206.03221	142.3
[M]-	206.03331	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe