CID 11864326

Rac-(1r,2s,4s)-7-oxabicyclo[2.2.1]heptan-2-ol

Structural Information

Molecular Formula
C6H10O2
SMILES
C1C[C@H]2[C@@H](C[C@@H]1O2)O
InChI
InChI=1S/C6H10O2/c7-5-3-4-1-2-6(5)8-4/h4-7H,1-3H2/t4-,5-,6+/m1/s1
InChIKey
DXJWCIYSWHNWHQ-PBXRRBTRSA-N
Compound name
(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

114.06808 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.07536 119.9
[M+Na]+ 137.05730 128.8
[M+NH4]+ 132.10190 129.6
[M+K]+ 153.03124 127.9
[M-H]- 113.06080 121.1
[M+Na-2H]- 135.04275 121.2
[M]+ 114.06753 121.2
[M]- 114.06863 121.2
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.