CID 22281776

394223-19-9

Structural Information

Molecular Formula
C9H8N2O2
SMILES
COC(=O)C1=CC2=C(N1)C=CC=N2
InChI
InChI=1S/C9H8N2O2/c1-13-9(12)8-5-7-6(11-8)3-2-4-10-7/h2-5,11H,1H3
InChIKey
BXBHZLHTTHMUTG-UHFFFAOYSA-N
Compound name
methyl 1H-pyrrolo[3,2-b]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

219
Patents

176.05858 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.065856 134.0
[M+Na]+ 199.047798 144.4
[M-H]- 175.051304 135.4
[M+NH4]+ 194.092403 153.9
[M+K]+ 215.021738 141.5
[M+H-H2O]+ 159.055840 127.3
[M+HCOO]- 221.056781 156.3
[M+CH3COO]- 235.072431 175.7
[M+Na-2H]- 197.033246 141.5
[M]+ 176.05803142 136.0
[M]- 176.05912858 136.0
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