CID 135392152

1-(3-hydroxyoxetan-3-yl)propan-2-one

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

CC(=O)CC1(COC1)O

InChI

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

InChIKey

SNLHQGWUZOIFNG-UHFFFAOYSA-N

Compound name

1-(3-hydroxyoxetan-3-yl)propan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 130.06299 Da
Monoisotopic Mass: -0.7
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	123.0
[M+Na]+	153.05221	128.8
[M-H]-	129.05571	126.2
[M+NH4]+	148.09681	138.4
[M+K]+	169.02615	133.0
[M+H-H2O]+	113.06025	114.7
[M+HCOO]-	175.06119	142.6
[M+CH3COO]-	189.07684	171.6
[M+Na-2H]-	151.03766	130.4
[M]+	130.06244	132.1
[M]-	130.06354	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.