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

19
Patents

222.19836 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 155.1
[M+Na]+ 245.187578 161.4
[M-H]- 221.191084 159.5
[M+NH4]+ 240.232183 183.6
[M+K]+ 261.161518 159.3
[M+H-H2O]+ 205.195620 151.4
[M+HCOO]- 267.196561 169.7
[M+CH3COO]- 281.212211 167.2
[M+Na-2H]- 243.173026 158.4
[M]+ 222.19781142 153.4
[M]- 222.19890858 153.4
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