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]+ 157.122316 129.2
[M+Na]+ 179.104258 135.4
[M-H]- 155.107764 133.1
[M+NH4]+ 174.148863 145.3
[M+K]+ 195.078198 138.1
[M+H-H2O]+ 139.112300 120.9
[M+HCOO]- 201.113241 145.7
[M+CH3COO]- 215.128891 178.8
[M+Na-2H]- 177.089706 136.3
[M]+ 156.11449142 136.2
[M]- 156.11558858 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.