CID 3661214

1,3-dioxolane-2-propionaldehyde

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

C1COC(O1)CCC=O

InChI

InChI=1S/C6H10O3/c7-3-1-2-6-8-4-5-9-6/h3,6H,1-2,4-5H2

InChIKey

XFMMMZDHPNOERJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 130.06299 Da
Monoisotopic Mass: -0.3
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	124.1
[M+Na]+	153.05221	130.9
[M-H]-	129.05571	128.5
[M+NH4]+	148.09681	145.0
[M+K]+	169.02615	133.1
[M+H-H2O]+	113.06025	119.5
[M+HCOO]-	175.06119	146.4
[M+CH3COO]-	189.07684	168.4
[M+Na-2H]-	151.03766	131.7
[M]+	130.06244	125.6
[M]-	130.06354	125.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.