CID 211907

Brn 1531187

Structural Information

Molecular Formula

C₉H₁₀ClNO₂

SMILES

CCC(=O)OCC1=CC(=CN=C1)Cl

InChI

InChI=1S/C9H10ClNO2/c1-2-9(12)13-6-7-3-8(10)5-11-4-7/h3-5H,2,6H2,1H3

InChIKey

CVJHVAQVVIEWAC-UHFFFAOYSA-N

Compound name

(5-chloropyridin-3-yl)methyl propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 199.04001 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	200.04729	139.2
[M+Na]+	222.02923	152.9
[M+NH4]+	217.07383	147.3
[M+K]+	238.00317	146.2
[M-H]-	198.03273	140.3
[M+Na-2H]-	220.01468	146.1
[M]+	199.03946	141.7
[M]-	199.04056	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.