CID 165662687

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

Structural Information

Molecular Formula
C11H9ClN2O3
SMILES
COC(=O)CN1C=C(C2=C1N=C(C=C2)Cl)C=O
InChI
InChI=1S/C11H9ClN2O3/c1-17-10(16)5-14-4-7(6-15)8-2-3-9(12)13-11(8)14/h2-4,6H,5H2,1H3
InChIKey
WQOPMYJQYDMYFO-UHFFFAOYSA-N
Compound name
methyl 2-(6-chloro-3-formylpyrrolo[2,3-b]pyridin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.03017 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.037446 150.3
[M+Na]+ 275.019388 162.8
[M-H]- 251.022894 153.2
[M+NH4]+ 270.063993 169.0
[M+K]+ 290.993328 158.5
[M+H-H2O]+ 235.027430 143.8
[M+HCOO]- 297.028371 169.0
[M+CH3COO]- 311.044021 191.7
[M+Na-2H]- 273.004836 155.2
[M]+ 252.02962142 158.2
[M]- 252.03071858 158.2
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.