CID 53412993

1190322-23-6

Structural Information

Molecular Formula
C9H8N2O3
SMILES
COC1=CC2=C(NC=C2C(=O)O)N=C1
InChI
InChI=1S/C9H8N2O3/c1-14-5-2-6-7(9(12)13)4-11-8(6)10-3-5/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKey
XYCDATHBLOHRCZ-UHFFFAOYSA-N
Compound name
5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.0535 Da
Monoisotopic Mass

0.8
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.