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

43
Patents

176.10486 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.11214 137.7
[M+Na]+ 199.09408 143.8
[M-H]- 175.09758 139.1
[M+NH4]+ 194.13868 154.1
[M+K]+ 215.06802 146.3
[M+H-H2O]+ 159.10212 130.5
[M+HCOO]- 221.10306 156.9
[M+CH3COO]- 235.11871 178.0
[M+Na-2H]- 197.07953 144.2
[M]+ 176.10431 148.5
[M]- 176.10541 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.