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]+	131.070266	120.4
[M+Na]+	153.052208	127.9
[M-H]-	129.055714	124.7
[M+NH4]+	148.096813	138.1
[M+K]+	169.026148	131.5
[M+H-H2O]+	113.060250	112.3
[M+HCOO]-	175.061191	143.5
[M+CH3COO]-	189.076841	174.6
[M+Na-2H]-	151.037656	128.0
[M]+	130.06244142	131.8
[M]-	130.06353858	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.