CID 9964081

36679-81-9

Structural Information

Molecular Formula

C₅H₈O₃

SMILES

C1C(COC1=O)CO

InChI

InChI=1S/C5H8O3/c6-2-4-1-5(7)8-3-4/h4,6H,1-3H2

InChIKey

PVQRPRXBBGDUMX-UHFFFAOYSA-N

Compound name

4-(hydroxymethyl)oxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 129
Patents: 116.04734 Da
Monoisotopic Mass: -0.6
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	120.6
[M+Na]+	139.03656	130.3
[M+NH4]+	134.08116	128.6
[M+K]+	155.01050	128.1
[M-H]-	115.04006	121.9
[M+Na-2H]-	137.02201	123.8
[M]+	116.04679	122.0
[M]-	116.04789	122.0

Literature stripe

literature stripe

Patent stripe

patents stripe