CID 57415905

Methyl 2-oxo-1h,2h,3h-pyrrolo[3,2-b]pyridine-6-carboxylate

Structural Information

Molecular Formula
C9H8N2O3
SMILES
COC(=O)C1=CC2=C(CC(=O)N2)N=C1
InChI
InChI=1S/C9H8N2O3/c1-14-9(13)5-2-7-6(10-4-5)3-8(12)11-7/h2,4H,3H2,1H3,(H,11,12)
InChIKey
OQXGJLKIVZGRCO-UHFFFAOYSA-N
Compound name
methyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

192.0535 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.060776 138.4
[M+Na]+ 215.042718 147.7
[M-H]- 191.046224 139.4
[M+NH4]+ 210.087323 157.5
[M+K]+ 231.016658 145.2
[M+H-H2O]+ 175.050760 131.9
[M+HCOO]- 237.051701 158.1
[M+CH3COO]- 251.067351 178.8
[M+Na-2H]- 213.028166 143.2
[M]+ 192.05295142 138.6
[M]- 192.05404858 138.6
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