CID 69228517

797060-48-1

Structural Information

Molecular Formula
C10H8N2O4
SMILES
COC(=O)C1=CN=C2C(=C1)C=C(N2)C(=O)O
InChI
InChI=1S/C10H8N2O4/c1-16-10(15)6-2-5-3-7(9(13)14)12-8(5)11-4-6/h2-4H,1H3,(H,11,12)(H,13,14)
InChIKey
GWGITNPFMIFYGH-UHFFFAOYSA-N
Compound name
5-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

220.0484 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.05568 143.7
[M+Na]+ 243.03762 153.7
[M-H]- 219.04112 144.1
[M+NH4]+ 238.08222 161.0
[M+K]+ 259.01156 150.9
[M+H-H2O]+ 203.04566 137.3
[M+HCOO]- 265.04660 163.7
[M+CH3COO]- 279.06225 181.9
[M+Na-2H]- 241.02307 148.4
[M]+ 220.04785 146.1
[M]- 220.04895 146.1
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

patents stripe