CID 13639661

4386-18-9

Structural Information

Molecular Formula

C₅H₈O₃

SMILES

CC1COC(=O)C1O

InChI

InChI=1S/C5H8O3/c1-3-2-8-5(7)4(3)6/h3-4,6H,2H2,1H3

InChIKey

GFPAFTLIWBGZMF-UHFFFAOYSA-N

Compound name

3-hydroxy-4-methyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 116.04734 Da
Monoisotopic Mass: 0.1
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]+	117.05462	118.8
[M+Na]+	139.03656	127.4
[M-H]-	115.04006	122.1
[M+NH4]+	134.08116	141.5
[M+K]+	155.01050	128.0
[M+H-H2O]+	99.044600	115.0
[M+HCOO]-	161.04554	140.8
[M+CH3COO]-	175.06119	164.8
[M+Na-2H]-	137.02201	124.2
[M]+	116.04679	118.1
[M]-	116.04789	118.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe