CID 11579250

Ethyl 1h-pyrrolo[3,2-b]pyridine-2-carboxylate

Structural Information

Molecular Formula
C10H10N2O2
SMILES
CCOC(=O)C1=CC2=C(N1)C=CC=N2
InChI
InChI=1S/C10H10N2O2/c1-2-14-10(13)9-6-8-7(12-9)4-3-5-11-8/h3-6,12H,2H2,1H3
InChIKey
NOWHXIDXMNNYBL-UHFFFAOYSA-N
Compound name
ethyl 1H-pyrrolo[3,2-b]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

190.07423 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 138.7
[M+Na]+ 213.06345 148.6
[M-H]- 189.06695 139.9
[M+NH4]+ 208.10805 158.0
[M+K]+ 229.03739 145.5
[M+H-H2O]+ 173.07149 131.8
[M+HCOO]- 235.07243 160.6
[M+CH3COO]- 249.08808 178.7
[M+Na-2H]- 211.04890 145.6
[M]+ 190.07368 141.0
[M]- 190.07478 141.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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