CID 6653

Ethyl 2-hydroxyisobutyrate

Structural Information

Molecular Formula

C₆H₁₂O₃

SMILES

CCOC(=O)C(C)(C)O

InChI

InChI=1S/C6H12O3/c1-4-9-5(7)6(2,3)8/h8H,4H2,1-3H3

InChIKey

GFUIDHWFLMPAGY-UHFFFAOYSA-N

Compound name

ethyl 2-hydroxy-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 15901
Patents: 132.07864 Da
Monoisotopic Mass: 0.4
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]+	133.08592	127.1
[M+Na]+	155.06786	136.2
[M+NH4]+	150.11246	133.9
[M+K]+	171.04180	133.1
[M-H]-	131.07136	124.6
[M+Na-2H]-	153.05331	129.7
[M]+	132.07809	127.4
[M]-	132.07919	127.4

Literature stripe

literature stripe

Patent stripe

patents stripe