CID 82410220

1367948-85-3

Structural Information

Molecular Formula
C8H6N2O3
SMILES
C1=CNC(=O)C2=C1NC(=C2)C(=O)O
InChI
InChI=1S/C8H6N2O3/c11-7-4-3-6(8(12)13)10-5(4)1-2-9-7/h1-3,10H,(H,9,11)(H,12,13)
InChIKey
HFRKUJGAVYQNBA-UHFFFAOYSA-N
Compound name
4-oxo-1,5-dihydropyrrolo[3,2-c]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

178.03784 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04512 132.6
[M+Na]+ 201.02706 143.4
[M-H]- 177.03056 131.7
[M+NH4]+ 196.07166 151.0
[M+K]+ 217.00100 138.9
[M+H-H2O]+ 161.03510 126.7
[M+HCOO]- 223.03604 152.4
[M+CH3COO]- 237.05169 171.1
[M+Na-2H]- 199.01251 138.9
[M]+ 178.03729 131.7
[M]- 178.03839 131.7
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