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

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

literature stripe

Patent stripe

patents stripe