CID 11009683

Methyl 2-bromo-3,3-dimethoxypropanoate

Structural Information

Molecular Formula

C₆H₁₁BrO₄

SMILES

COC(C(C(=O)OC)Br)OC

InChI

InChI=1S/C6H11BrO4/c1-9-5(8)4(7)6(10-2)11-3/h4,6H,1-3H3

InChIKey

UPMVUGZONKXPPW-UHFFFAOYSA-N

Compound name

methyl 2-bromo-3,3-dimethoxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 225.98407 Da
Monoisotopic Mass: 0.8
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]+	226.99135	139.9
[M+Na]+	248.97329	150.0
[M-H]-	224.97679	142.9
[M+NH4]+	244.01789	161.4
[M+K]+	264.94723	142.3
[M+H-H2O]+	208.98133	140.0
[M+HCOO]-	270.98227	159.3
[M+CH3COO]-	284.99792	186.4
[M+Na-2H]-	246.95874	144.4
[M]+	225.98352	162.2
[M]-	225.98462	162.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe