CID 12476694

2,2-dimethoxycyclobutan-1-one

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

COC1(CCC1=O)OC

InChI

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

InChIKey

SBFQWWVQEZBZMJ-UHFFFAOYSA-N

Compound name

2,2-dimethoxycyclobutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 130.06299 Da
Monoisotopic Mass: -0.2
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	124.6
[M+Na]+	153.05221	130.9
[M+NH4]+	148.09681	130.1
[M+K]+	169.02615	126.5
[M-H]-	129.05571	122.4
[M+Na-2H]-	151.03766	128.3
[M]+	130.06244	123.7
[M]-	130.06354	123.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.