CID 72214110

211379-67-8

Structural Information

Molecular Formula

C₉H₁₀ClNO₃

SMILES

COC1=CC(=NC(=C1)C(=O)OC)CCl

InChI

InChI=1S/C9H10ClNO3/c1-13-7-3-6(5-10)11-8(4-7)9(12)14-2/h3-4H,5H2,1-2H3

InChIKey

VLVPGWBNJXGLBZ-UHFFFAOYSA-N

Compound name

methyl 6-(chloromethyl)-4-methoxypyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 215.03493 Da
Monoisotopic Mass: 1.4
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]+	216.04221	140.6
[M+Na]+	238.02415	150.6
[M-H]-	214.02765	143.4
[M+NH4]+	233.06875	159.2
[M+K]+	253.99809	148.2
[M+H-H2O]+	198.03219	134.9
[M+HCOO]-	260.03313	159.2
[M+CH3COO]-	274.04878	185.4
[M+Na-2H]-	236.00960	146.0
[M]+	215.03438	146.7
[M]-	215.03548	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe