CID 10846187

159153-39-6

Structural Information

Molecular Formula

C₁₀H₁₀ClNO₂

SMILES

CCOC(=O)/C=C/C1=CN=C(C=C1)Cl

InChI

InChI=1S/C10H10ClNO2/c1-2-14-10(13)6-4-8-3-5-9(11)12-7-8/h3-7H,2H2,1H3/b6-4+

InChIKey

FHRIBCCVJCCJCZ-GQCTYLIASA-N

Compound name

ethyl (E)-3-(6-chloropyridin-3-yl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 211.04001 Da
Monoisotopic Mass: 2.5
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]+	212.04729	142.2
[M+Na]+	234.02923	151.4
[M-H]-	210.03273	144.5
[M+NH4]+	229.07383	160.8
[M+K]+	250.00317	147.5
[M+H-H2O]+	194.03727	136.4
[M+HCOO]-	256.03821	160.5
[M+CH3COO]-	270.05386	183.7
[M+Na-2H]-	232.01468	147.7
[M]+	211.03946	146.0
[M]-	211.04056	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe