CID 17750410

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

Structural Information

Molecular Formula
C9H8N2O3
SMILES
COC1=NC2=C(C=C1)NC(=C2)C(=O)O
InChI
InChI=1S/C9H8N2O3/c1-14-8-3-2-5-6(11-8)4-7(10-5)9(12)13/h2-4,10H,1H3,(H,12,13)
InChIKey
BGRTVRRVFGHABF-UHFFFAOYSA-N
Compound name
5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

192.0535 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.060776 137.1
[M+Na]+ 215.042718 147.7
[M-H]- 191.046224 137.4
[M+NH4]+ 210.087323 155.7
[M+K]+ 231.016658 144.5
[M+H-H2O]+ 175.050760 130.8
[M+HCOO]- 237.051701 158.0
[M+CH3COO]- 251.067351 177.2
[M+Na-2H]- 213.028166 143.4
[M]+ 192.05295142 139.1
[M]- 192.05404858 139.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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