CID 76847297

2-oxo-1h,2h,3h-pyrrolo[2,3-b]pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C8H6N2O3
SMILES
C1C2=C(C=CN=C2NC1=O)C(=O)O
InChI
InChI=1S/C8H6N2O3/c11-6-3-5-4(8(12)13)1-2-9-7(5)10-6/h1-2H,3H2,(H,12,13)(H,9,10,11)
InChIKey
KLFGKBLJFXZSJO-UHFFFAOYSA-N
Compound name
2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.03784 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04512 134.2
[M+Na]+ 201.02706 143.5
[M-H]- 177.03056 134.0
[M+NH4]+ 196.07166 153.1
[M+K]+ 217.00100 140.3
[M+H-H2O]+ 161.03510 128.1
[M+HCOO]- 223.03604 152.7
[M+CH3COO]- 237.05169 174.0
[M+Na-2H]- 199.01251 139.1
[M]+ 178.03729 132.3
[M]- 178.03839 132.3
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.