CID 130787973

Methyl 2-(4-bromo-6-methylpyridin-2-yl)acetate

Structural Information

Molecular Formula

C₉H₁₀BrNO₂

SMILES

CC1=CC(=CC(=N1)CC(=O)OC)Br

InChI

InChI=1S/C9H10BrNO2/c1-6-3-7(10)4-8(11-6)5-9(12)13-2/h3-4H,5H2,1-2H3

InChIKey

GQCMHUKELFHOCW-UHFFFAOYSA-N

Compound name

methyl 2-(4-bromo-6-methyl-2-pyridinyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 242.98949 Da
Monoisotopic Mass: 1.8
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]+	243.996766	141.6
[M+Na]+	265.978708	153.9
[M-H]-	241.982214	147.0
[M+NH4]+	261.023313	161.9
[M+K]+	281.952648	143.7
[M+H-H2O]+	225.986750	141.2
[M+HCOO]-	287.987691	162.1
[M+CH3COO]-	302.003341	189.6
[M+Na-2H]-	263.964156	148.4
[M]+	242.98894142	162.7
[M]-	242.99003858	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe