CID 85669481

1,5-epoxy-4(14)-salvialene

Structural Information

Molecular Formula
C15H24O
SMILES
CC(C)C1CCC2(C1C3C(=C)CCC2O3)C
InChI
InChI=1S/C15H24O/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(16-12)13(11)15/h9,11-14H,3,5-8H2,1-2,4H3
InChIKey
BITBXAWCPCNKKN-UHFFFAOYSA-N
Compound name
2-methyl-8-methylidene-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 153.8
[M+Na]+ 243.17193 162.5
[M+NH4]+ 238.21653 165.2
[M+K]+ 259.14587 158.0
[M-H]- 219.17543 156.1
[M+Na-2H]- 241.15738 154.0
[M]+ 220.18216 155.7
[M]- 220.18326 155.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.