CID 132342101

2137986-81-1

Structural Information

Molecular Formula
C11H10N2O4
SMILES
CN1C(=CC2=CC(=CN=C21)C(=O)OC)C(=O)O
InChI
InChI=1S/C11H10N2O4/c1-13-8(10(14)15)4-6-3-7(11(16)17-2)5-12-9(6)13/h3-5H,1-2H3,(H,14,15)
InChIKey
UKNHAGPULAKCIV-UHFFFAOYSA-N
Compound name
5-methoxycarbonyl-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.06406 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.07134 148.8
[M+Na]+ 257.05328 160.8
[M+NH4]+ 252.09788 154.6
[M+K]+ 273.02722 158.9
[M-H]- 233.05678 147.6
[M+Na-2H]- 255.03873 152.5
[M]+ 234.06351 149.9
[M]- 234.06461 149.9
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.