CID 347919

2-(acetyloxy)-2-methylpropanoic acid

Structural Information

Molecular Formula

C₆H₁₀O₄

SMILES

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

InChI

InChI=1S/C6H10O4/c1-4(7)10-6(2,3)5(8)9/h1-3H3,(H,8,9)

InChIKey

NIWFXRKHWKGFMT-UHFFFAOYSA-N

Compound name

2-acetyloxy-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 165
Patents: 146.0579 Da
Monoisotopic Mass: 0.3
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]+	147.06518	129.1
[M+Na]+	169.04712	137.4
[M+NH4]+	164.09172	134.9
[M+K]+	185.02106	135.6
[M-H]-	145.05062	125.6
[M+Na-2H]-	167.03257	130.8
[M]+	146.05735	128.9
[M]-	146.05845	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe