CID 105427497

3-methoxyoxolane-3-carbaldehyde

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

COC1(CCOC1)C=O

InChI

InChI=1S/C6H10O3/c1-8-6(4-7)2-3-9-5-6/h4H,2-3,5H2,1H3

InChIKey

WNHOXDRYCYFIBF-UHFFFAOYSA-N

Compound name

3-methoxyoxolane-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 130.06299 Da
Monoisotopic Mass: -0.6
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	122.8
[M+Na]+	153.05221	130.5
[M-H]-	129.05571	127.0
[M+NH4]+	148.09681	147.1
[M+K]+	169.02615	131.9
[M+H-H2O]+	113.06025	118.9
[M+HCOO]-	175.06119	146.1
[M+CH3COO]-	189.07684	167.8
[M+Na-2H]-	151.03766	130.8
[M]+	130.06244	124.0
[M]-	130.06354	124.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.