CID 12740463

Rac-(1r,4r,6r)-2-oxabicyclo[2.2.1]heptan-6-ol

Structural Information

Molecular Formula
C6H10O2
SMILES
C1[C@@H]2C[C@H]([C@@H]1O)OC2
InChI
InChI=1S/C6H10O2/c7-5-1-4-2-6(5)8-3-4/h4-7H,1-3H2/t4-,5-,6-/m1/s1
InChIKey
YFOLSJPLSOPDLT-HSUXUTPPSA-N
Compound name
(1R,4R,6R)-2-oxabicyclo[2.2.1]heptan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

114.06808 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.07536 121.0
[M+Na]+ 137.05730 128.7
[M-H]- 113.06080 123.3
[M+NH4]+ 132.10190 146.9
[M+K]+ 153.03124 128.7
[M+H-H2O]+ 97.065340 117.9
[M+HCOO]- 159.06628 141.3
[M+CH3COO]- 173.08193 165.0
[M+Na-2H]- 135.04275 126.9
[M]+ 114.06753 119.7
[M]- 114.06863 119.7
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