CID 20296516

1-(3-hydroxyoxolan-3-yl)ethan-1-one

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

CC(=O)C1(CCOC1)O

InChI

InChI=1S/C6H10O3/c1-5(7)6(8)2-3-9-4-6/h8H,2-4H2,1H3

InChIKey

LINYULCYEACGBW-UHFFFAOYSA-N

Compound name

1-(3-hydroxyoxolan-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 130.06299 Da
Monoisotopic Mass: -0.9
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]+	131.07027	125.7
[M+Na]+	153.05221	134.6
[M+NH4]+	148.09681	134.9
[M+K]+	169.02615	131.1
[M-H]-	129.05571	126.7
[M+Na-2H]-	151.03766	130.2
[M]+	130.06244	127.1
[M]-	130.06354	127.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe