CID 21618

5464-28-8

Structural Information

Molecular Formula

C₄H₈O₃

SMILES

C1C(OCO1)CO

InChI

InChI=1S/C4H8O3/c5-1-4-2-6-3-7-4/h4-5H,1-3H2

InChIKey

BOHGAOWOIJMTPZ-UHFFFAOYSA-N

Compound name

1,3-dioxolan-4-ylmethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 20
References: 1456
Patents: 104.04734 Da
Monoisotopic Mass: -0.8
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]+	105.05462	117.0
[M+Na]+	127.03656	126.9
[M+NH4]+	122.08116	125.3
[M+K]+	143.01050	125.1
[M-H]-	103.04006	119.8
[M+Na-2H]-	125.02201	120.4
[M]+	104.04679	119.0
[M]-	104.04789	119.0

Literature stripe

literature stripe

Patent stripe

patents stripe