CID 54595579

Methyl 2-hydroxy-3-methoxy-2-methylpropanoate

Structural Information

Molecular Formula

C₆H₁₂O₄

SMILES

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

InChI

InChI=1S/C6H12O4/c1-6(8,4-9-2)5(7)10-3/h8H,4H2,1-3H3

InChIKey

VOTPXWASQHYOEG-UHFFFAOYSA-N

Compound name

methyl 2-hydroxy-3-methoxy-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 148.07356 Da
Monoisotopic Mass: -0.5
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	129.9
[M+Na]+	171.06278	138.4
[M+NH4]+	166.10738	136.0
[M+K]+	187.03672	135.9
[M-H]-	147.06628	126.8
[M+Na-2H]-	169.04823	132.0
[M]+	148.07301	129.9
[M]-	148.07411	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe