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]+ 169.122316 143.4
[M+Na]+ 191.104258 150.1
[M-H]- 167.107764 146.0
[M+NH4]+ 186.148863 158.5
[M+K]+ 207.078198 152.1
[M+H-H2O]+ 151.112300 135.0
[M+HCOO]- 213.113241 153.8
[M+CH3COO]- 227.128891 154.3
[M+Na-2H]- 189.089706 155.4
[M]+ 168.11449142 156.2
[M]- 168.11558858 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.