CID 14862499

130369-33-4

Structural Information

Molecular Formula

C₈H₁₆O₄

SMILES

COC1(CC(C1)(CO)CO)OC

InChI

InChI=1S/C8H16O4/c1-11-8(12-2)3-7(4-8,5-9)6-10/h9-10H,3-6H2,1-2H3

InChIKey

BCXOBYJPCUTNTN-UHFFFAOYSA-N

Compound name

[1-(hydroxymethyl)-3,3-dimethoxycyclobutyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 176.10486 Da
Monoisotopic Mass: -0.9
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]+	177.11214	138.6
[M+Na]+	199.09408	143.0
[M+NH4]+	194.13868	144.0
[M+K]+	215.06802	137.6
[M-H]-	175.09758	134.9
[M+Na-2H]-	197.07953	141.7
[M]+	176.10431	137.0
[M]-	176.10541	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe