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 135.1
[M+Na]+ 165.08860 140.5
[M-H]- 141.09210 134.0
[M+NH4]+ 160.13320 154.6
[M+K]+ 181.06254 143.1
[M+H-H2O]+ 125.09664 127.5
[M+HCOO]- 187.09758 147.2
[M+CH3COO]- 201.11323 179.3
[M+Na-2H]- 163.07405 146.9
[M]+ 142.09883 146.4
[M]- 142.09993 146.4
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.