CID 155858636

{5,5-dimethyl-2-oxabicyclo[2.1.1]hexan-1-yl}methanol

Structural Information

Molecular Formula
C8H14O2
SMILES
CC1(C2CC1(OC2)CO)C
InChI
InChI=1S/C8H14O2/c1-7(2)6-3-8(7,5-9)10-4-6/h6,9H,3-5H2,1-2H3
InChIKey
XRIQWOWRZMHLLV-UHFFFAOYSA-N
Compound name
(5,5-dimethyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.09938 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 134.7
[M+Na]+ 165.088598 142.4
[M-H]- 141.092104 136.0
[M+NH4]+ 160.133203 159.1
[M+K]+ 181.062538 143.8
[M+H-H2O]+ 125.096640 130.2
[M+HCOO]- 187.097581 151.3
[M+CH3COO]- 201.113231 177.4
[M+Na-2H]- 163.074046 144.0
[M]+ 142.09883142 148.7
[M]- 142.09992858 148.7
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.