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]+ 221.189986 155.4
[M+Na]+ 243.171928 162.0
[M-H]- 219.175434 159.2
[M+NH4]+ 238.216533 181.0
[M+K]+ 259.145868 159.1
[M+H-H2O]+ 203.179970 152.1
[M+HCOO]- 265.180911 169.9
[M+CH3COO]- 279.196561 192.8
[M+Na-2H]- 241.157376 155.8
[M]+ 220.18216142 153.1
[M]- 220.18325858 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.