CID 145100

Hydroxymethyl acetate

Structural Information

Molecular Formula

C₃H₆O₃

SMILES

CC(=O)OCO

InChI

InChI=1S/C3H6O3/c1-3(5)6-2-4/h4H,2H2,1H3

InChIKey

JYVNDCLJHKQUHE-UHFFFAOYSA-N

Compound name

hydroxymethyl acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 2655
Patents: 90.03169 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]+	91.038966	114.0
[M+Na]+	113.02091	124.0
[M+NH4]+	108.06551	121.5
[M+K]+	128.99485	120.3
[M-H]-	89.024414	112.3
[M+Na-2H]-	111.00636	117.5
[M]+	90.031141	114.6
[M]-	90.032239	114.6

Literature stripe

literature stripe

Patent stripe

patents stripe