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 155.4
[M+Na]+ 243.17193 162.0
[M-H]- 219.17543 159.2
[M+NH4]+ 238.21653 181.0
[M+K]+ 259.14587 159.1
[M+H-H2O]+ 203.17997 152.1
[M+HCOO]- 265.18091 169.9
[M+CH3COO]- 279.19656 192.8
[M+Na-2H]- 241.15738 155.8
[M]+ 220.18216 153.1
[M]- 220.18326 153.1
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.