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 155.1
[M+Na]+ 245.18758 161.4
[M-H]- 221.19108 159.5
[M+NH4]+ 240.23218 183.6
[M+K]+ 261.16152 159.3
[M+H-H2O]+ 205.19562 151.4
[M+HCOO]- 267.19656 169.7
[M+CH3COO]- 281.21221 167.2
[M+Na-2H]- 243.17303 158.4
[M]+ 222.19781 153.4
[M]- 222.19891 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