CID 155978195

{1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl}methanol

Structural Information

Molecular Formula
C8H14O2
SMILES
CC12CC(C1)C(CO2)CO
InChI
InChI=1S/C8H14O2/c1-8-2-6(3-8)7(4-9)5-10-8/h6-7,9H,2-5H2,1H3
InChIKey
FLMYFIMEGGUWJF-UHFFFAOYSA-N
Compound name
(1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.09938 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 125.5
[M+Na]+ 165.08860 131.4
[M+NH4]+ 160.13320 133.5
[M+K]+ 181.06254 126.0
[M-H]- 141.09210 122.5
[M+Na-2H]- 163.07405 123.5
[M]+ 142.09883 124.5
[M]- 142.09993 124.5
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.