CID 323964

5,8-epoxydaucane

Structural Information

Molecular Formula
C15H26O
SMILES
CC(C)C1CCC2(C13CCC(O3)(CC2)C)C
InChI
InChI=1S/C15H26O/c1-11(2)12-5-6-13(3)7-8-14(4)9-10-15(12,13)16-14/h11-12H,5-10H2,1-4H3
InChIKey
WABYSPBNXHXFIQ-UHFFFAOYSA-N
Compound name
5,8-dimethyl-2-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

222.19836 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 154.1
[M+Na]+ 245.18758 162.1
[M+NH4]+ 240.23218 168.4
[M+K]+ 261.16152 154.1
[M-H]- 221.19108 156.8
[M+Na-2H]- 243.17303 158.3
[M]+ 222.19781 156.4
[M]- 222.19891 156.4
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