CID 172639741

(5-cyclopropyl-3-oxabicyclo[3.1.1]heptan-1-yl)methanol

Structural Information

Molecular Formula
C10H16O2
SMILES
C1CC1C23CC(C2)(COC3)CO
InChI
InChI=1S/C10H16O2/c11-5-9-3-10(4-9,7-12-6-9)8-1-2-8/h8,11H,1-7H2
InChIKey
DQAHQPHVQBUJAR-UHFFFAOYSA-N
Compound name
(5-cyclopropyl-3-oxabicyclo[3.1.1]heptan-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.11504 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 143.4
[M+Na]+ 191.10426 150.1
[M-H]- 167.10776 146.0
[M+NH4]+ 186.14886 158.5
[M+K]+ 207.07820 152.1
[M+H-H2O]+ 151.11230 135.0
[M+HCOO]- 213.11324 153.8
[M+CH3COO]- 227.12889 154.3
[M+Na-2H]- 189.08971 155.4
[M]+ 168.11449 156.1
[M]- 168.11559 156.2
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.