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]+ 191.081506 138.7
[M+Na]+ 213.063448 148.6
[M-H]- 189.066954 139.9
[M+NH4]+ 208.108053 158.0
[M+K]+ 229.037388 145.5
[M+H-H2O]+ 173.071490 131.8
[M+HCOO]- 235.072431 160.6
[M+CH3COO]- 249.088081 178.7
[M+Na-2H]- 211.048896 145.6
[M]+ 190.07368142 141.0
[M]- 190.07477858 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.