CID 24773096

Propan-2-yl 2-chloropyridine-3-carboxylate

Structural Information

Molecular Formula

C₉H₁₀ClNO₂

SMILES

CC(C)OC(=O)C1=C(N=CC=C1)Cl

InChI

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

InChIKey

KNKVAUDQVGHCSM-UHFFFAOYSA-N

Compound name

propan-2-yl 2-chloropyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 199.04001 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]+	200.04729	139.1
[M+Na]+	222.02923	152.5
[M+NH4]+	217.07383	147.1
[M+K]+	238.00317	146.6
[M-H]-	198.03273	140.1
[M+Na-2H]-	220.01468	145.6
[M]+	199.03946	141.5
[M]-	199.04056	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe