CID 12664700

18132-98-4

Structural Information

Molecular Formula

C₅H₈O₃

SMILES

C1COC(=O)C1CO

InChI

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

InChIKey

SQGFUXSRIIEVCU-UHFFFAOYSA-N

Compound name

3-(hydroxymethyl)oxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 192
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	119.5
[M+Na]+	139.03656	127.2
[M-H]-	115.04006	122.4
[M+NH4]+	134.08116	141.9
[M+K]+	155.01050	127.8
[M+H-H2O]+	99.044600	115.3
[M+HCOO]-	161.04554	141.6
[M+CH3COO]-	175.06119	163.6
[M+Na-2H]-	137.02201	125.6
[M]+	116.04679	118.5
[M]-	116.04789	118.5

Literature stripe

literature stripe

Patent stripe

patents stripe