CID 57415905

1190312-75-4

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

26
Patents

192.0535 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06078 139.6
[M+Na]+ 215.04272 150.7
[M+NH4]+ 210.08732 146.4
[M+K]+ 231.01666 148.0
[M-H]- 191.04622 138.7
[M+Na-2H]- 213.02817 143.1
[M]+ 192.05295 140.6
[M]- 192.05405 140.6
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