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 147.5
[M+Na]+ 257.05328 158.4
[M-H]- 233.05678 149.4
[M+NH4]+ 252.09788 165.2
[M+K]+ 273.02722 156.1
[M+H-H2O]+ 217.06132 140.9
[M+HCOO]- 279.06226 168.5
[M+CH3COO]- 293.07791 188.5
[M+Na-2H]- 255.03873 151.4
[M]+ 234.06351 152.4
[M]- 234.06461 152.4
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.