CID 22273244

8-oxabicyclo[3.2.1]octan-3-ol

Structural Information

Molecular Formula
C7H12O2
SMILES
C1CC2CC(CC1O2)O
InChI
InChI=1S/C7H12O2/c8-5-3-6-1-2-7(4-5)9-6/h5-8H,1-4H2
InChIKey
CSGTZGMKSPXFEQ-UHFFFAOYSA-N
Compound name
8-oxabicyclo[3.2.1]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

128.08372 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 123.9
[M+Na]+ 151.07294 133.8
[M+NH4]+ 146.11754 133.8
[M+K]+ 167.04688 130.4
[M-H]- 127.07644 125.9
[M+Na-2H]- 149.05839 125.9
[M]+ 128.08317 125.7
[M]- 128.08427 125.7
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

patents stripe