CID 522955

8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-ol

Structural Information

Molecular Formula
C9H16O2
SMILES
CC1(C(C2C1OCCC2)O)C
InChI
InChI=1S/C9H16O2/c1-9(2)7(10)6-4-3-5-11-8(6)9/h6-8,10H,3-5H2,1-2H3
InChIKey
OGUSPLVPTTWVRC-UHFFFAOYSA-N
Compound name
8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.11504 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 129.2
[M+Na]+ 179.10426 135.4
[M-H]- 155.10776 133.1
[M+NH4]+ 174.14886 145.3
[M+K]+ 195.07820 138.1
[M+H-H2O]+ 139.11230 120.9
[M+HCOO]- 201.11324 145.7
[M+CH3COO]- 215.12889 178.8
[M+Na-2H]- 177.08971 136.3
[M]+ 156.11449 136.2
[M]- 156.11559 136.2
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.