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

43
Patents

128.08372 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 124.0
[M+Na]+ 151.072938 130.4
[M-H]- 127.076444 125.8
[M+NH4]+ 146.117543 147.6
[M+K]+ 167.046878 130.1
[M+H-H2O]+ 111.080980 120.1
[M+HCOO]- 173.081921 141.8
[M+CH3COO]- 187.097571 167.8
[M+Na-2H]- 149.058386 130.9
[M]+ 128.08317142 120.9
[M]- 128.08426858 120.9
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