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

44
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 124.0
[M+Na]+ 151.07294 130.4
[M-H]- 127.07644 125.8
[M+NH4]+ 146.11754 147.6
[M+K]+ 167.04688 130.1
[M+H-H2O]+ 111.08098 120.1
[M+HCOO]- 173.08192 141.8
[M+CH3COO]- 187.09757 167.8
[M+Na-2H]- 149.05839 130.9
[M]+ 128.08317 120.9
[M]- 128.08427 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