CID 254249

Methyl 6-chloronicotinate

Structural Information

Molecular Formula

C₇H₆ClNO₂

SMILES

COC(=O)C1=CN=C(C=C1)Cl

InChI

InChI=1S/C7H6ClNO2/c1-11-7(10)5-2-3-6(8)9-4-5/h2-4H,1H3

InChIKey

RMEDXVIWDFLGES-UHFFFAOYSA-N

Compound name

methyl 6-chloropyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2412
Patents: 171.00871 Da
Monoisotopic Mass: 1.7
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]+	172.01599	130.0
[M+Na]+	193.99793	144.2
[M+NH4]+	189.04253	138.5
[M+K]+	209.97187	138.0
[M-H]-	170.00143	131.3
[M+Na-2H]-	191.98338	137.5
[M]+	171.00816	132.7
[M]-	171.00926	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe