CID 83680886

5-methoxy-1h-pyrrolo[2,3-b]pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C9H8N2O3
SMILES
COC1=CN=C2C(=C1)C=C(N2)C(=O)O
InChI
InChI=1S/C9H8N2O3/c1-14-6-2-5-3-7(9(12)13)11-8(5)10-4-6/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKey
BLICHPDSRSMZOI-UHFFFAOYSA-N
Compound name
5-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

192.0535 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06078 138.1
[M+Na]+ 215.04272 150.4
[M+NH4]+ 210.08732 144.9
[M+K]+ 231.01666 147.7
[M-H]- 191.04622 137.3
[M+Na-2H]- 213.02817 142.9
[M]+ 192.05295 139.3
[M]- 192.05405 139.3
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

patents stripe