CID 130945109

3,3-dimethoxycyclobutan-1-ol

Structural Information

Molecular Formula

C₆H₁₂O₃

SMILES

COC1(CC(C1)O)OC

InChI

InChI=1S/C6H12O3/c1-8-6(9-2)3-5(7)4-6/h5,7H,3-4H2,1-2H3

InChIKey

SVJAHCCZKKZMMK-UHFFFAOYSA-N

Compound name

3,3-dimethoxycyclobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 132.07864 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]+	133.08592	125.8
[M+Na]+	155.06786	131.5
[M+NH4]+	150.11246	131.1
[M+K]+	171.04180	127.4
[M-H]-	131.07136	123.3
[M+Na-2H]-	153.05331	129.0
[M]+	132.07809	124.6
[M]-	132.07919	124.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe