CID 71721365

Methyl 6-chloro-2,4-dimethylnicotinate

Structural Information

Molecular Formula

C₉H₁₀ClNO₂

SMILES

CC1=CC(=NC(=C1C(=O)OC)C)Cl

InChI

InChI=1S/C9H10ClNO2/c1-5-4-7(10)11-6(2)8(5)9(12)13-3/h4H,1-3H3

InChIKey

KEFOCFHFGZFNHO-UHFFFAOYSA-N

Compound name

methyl 6-chloro-2,4-dimethylpyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 199.04001 Da
Monoisotopic Mass: 2.4
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]+	200.047286	137.0
[M+Na]+	222.029228	148.1
[M-H]-	198.032734	140.2
[M+NH4]+	217.073833	156.7
[M+K]+	238.003168	145.2
[M+H-H2O]+	182.037270	131.9
[M+HCOO]-	244.038211	155.4
[M+CH3COO]-	258.053861	184.6
[M+Na-2H]-	220.014676	141.7
[M]+	199.03946142	142.1
[M]-	199.04055858	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe