CID 11062676

92203-55-9

Structural Information

Molecular Formula

C₇H₁₂O₄

SMILES

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

InChI

InChI=1S/C7H12O4/c1-4(6(8)9)5(2)7(10)11-3/h4-5H,1-3H3,(H,8,9)

InChIKey

YGNOTSXXQFFAFO-UHFFFAOYSA-N

Compound name

4-methoxy-2,3-dimethyl-4-oxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 160.07356 Da
Monoisotopic Mass: 0.7
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]+	161.08084	133.1
[M+Na]+	183.06278	139.3
[M-H]-	159.06628	132.2
[M+NH4]+	178.10738	153.1
[M+K]+	199.03672	140.5
[M+H-H2O]+	143.07082	128.7
[M+HCOO]-	205.07176	152.6
[M+CH3COO]-	219.08741	176.6
[M+Na-2H]-	181.04823	134.3
[M]+	160.07301	134.7
[M]-	160.07411	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe