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: 4151
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	113.4
[M+Na]+	113.02091	121.6
[M-H]-	89.024414	112.9
[M+NH4]+	108.06551	136.5
[M+K]+	128.99485	122.5
[M+H-H2O]+	73.028950	109.6
[M+HCOO]-	135.02989	136.6
[M+CH3COO]-	149.04554	160.6
[M+Na-2H]-	111.00636	120.4
[M]+	90.031141	114.6
[M]-	90.032239	114.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.