CID 171035133

{1,3-dimethyl-2-oxabicyclo[2.1.1]hexan-4-yl}methanol

Structural Information

Molecular Formula
C8H14O2
SMILES
CC1C2(CC(C2)(O1)C)CO
InChI
InChI=1S/C8H14O2/c1-6-8(5-9)3-7(2,4-8)10-6/h6,9H,3-5H2,1-2H3
InChIKey
HFSMSTPEZOQNJT-UHFFFAOYSA-N
Compound name
(1,3-dimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.09938 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 124.0
[M+Na]+ 165.08860 127.8
[M+NH4]+ 160.13320 132.7
[M+K]+ 181.06254 125.2
[M-H]- 141.09210 120.3
[M+Na-2H]- 163.07405 122.5
[M]+ 142.09883 122.4
[M]- 142.09993 122.4
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.