CID 18928624

Ethyl 2-(6-chloropyridin-2-yl)acetate

Structural Information

Molecular Formula

C₉H₁₀ClNO₂

SMILES

CCOC(=O)CC1=NC(=CC=C1)Cl

InChI

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

InChIKey

VVNIIEKVHWJFQJ-UHFFFAOYSA-N

Compound name

ethyl 2-(6-chloro-2-pyridinyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 199.04001 Da
Monoisotopic Mass: 2.0
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]+	200.047286	138.5
[M+Na]+	222.029228	147.7
[M-H]-	198.032734	140.9
[M+NH4]+	217.073833	157.5
[M+K]+	238.003168	144.7
[M+H-H2O]+	182.037270	132.7
[M+HCOO]-	244.038211	156.9
[M+CH3COO]-	258.053861	182.2
[M+Na-2H]-	220.014676	144.5
[M]+	199.03946142	142.7
[M]-	199.04055858	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe