CID 82339

Methyl 2,2-dimethoxypropanoate

Structural Information

Molecular Formula

C₆H₁₂O₄

SMILES

CC(C(=O)OC)(OC)OC

InChI

InChI=1S/C6H12O4/c1-6(9-3,10-4)5(7)8-2/h1-4H3

InChIKey

KHQQDBIXHUJARJ-UHFFFAOYSA-N

Compound name

methyl 2,2-dimethoxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 188
Patents: 148.07356 Da
Monoisotopic Mass: 0.2
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]+	149.08084	129.4
[M+Na]+	171.06278	138.5
[M+NH4]+	166.10738	135.9
[M+K]+	187.03672	135.7
[M-H]-	147.06628	126.8
[M+Na-2H]-	169.04823	132.1
[M]+	148.07301	129.7
[M]-	148.07411	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe