CID 85800357

3,3-dimethoxycyclobutan-1-one

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

COC1(CC(=O)C1)OC

InChI

InChI=1S/C6H10O3/c1-8-6(9-2)3-5(7)4-6/h3-4H2,1-2H3

InChIKey

GXSQWVGLXXJVCA-UHFFFAOYSA-N

Compound name

3,3-dimethoxycyclobutan-1-one

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	120.4
[M+Na]+	153.05221	127.9
[M-H]-	129.05571	124.7
[M+NH4]+	148.09681	138.1
[M+K]+	169.02615	131.5
[M+H-H2O]+	113.06025	112.3
[M+HCOO]-	175.06119	143.5
[M+CH3COO]-	189.07684	174.6
[M+Na-2H]-	151.03766	128.0
[M]+	130.06244	131.8
[M]-	130.06354	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.