CID 86767752

Methyl 2-{1h-pyrrolo[2,3-b]pyridin-6-yl}acetate

Structural Information

Molecular Formula
C10H10N2O2
SMILES
COC(=O)CC1=NC2=C(C=C1)C=CN2
InChI
InChI=1S/C10H10N2O2/c1-14-9(13)6-8-3-2-7-4-5-11-10(7)12-8/h2-5H,6H2,1H3,(H,11,12)
InChIKey
VOUYCEWUOZESLW-UHFFFAOYSA-N
Compound name
methyl 2-(1H-pyrrolo[2,3-b]pyridin-6-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.07423 Da
Monoisotopic Mass

1.1
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.