CID 69841

1-(1,3-dioxolan-2-yl)acetone

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

CC(=O)CC1OCCO1

InChI

InChI=1S/C6H10O3/c1-5(7)4-6-8-2-3-9-6/h6H,2-4H2,1H3

InChIKey

FXHIOQYSZLPDAR-UHFFFAOYSA-N

Compound name

1-(1,3-dioxolan-2-yl)propan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 130.06299 Da
Monoisotopic Mass: -0.5
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	125.0
[M+Na]+	153.05221	131.5
[M-H]-	129.05571	129.4
[M+NH4]+	148.09681	145.8
[M+K]+	169.02615	134.1
[M+H-H2O]+	113.06025	120.4
[M+HCOO]-	175.06119	146.3
[M+CH3COO]-	189.07684	169.2
[M+Na-2H]-	151.03766	131.3
[M]+	130.06244	125.8
[M]-	130.06354	125.8

Literature stripe

literature stripe

Patent stripe

patents stripe