CID 171120027

Dendroterpene e

Structural Information

Molecular Formula
C15H20O5
SMILES
CC(C)[C@H]1[C@H]2[C@@H]3CC[C@]4([C@]3([C@@H]([C@@H]1OC2=O)O)OC4=O)C
InChI
InChI=1S/C15H20O5/c1-6(2)8-9-7-4-5-14(3)13(18)20-15(7,14)11(16)10(8)19-12(9)17/h6-11,16H,4-5H2,1-3H3/t7-,8-,9+,10+,11+,14+,15-/m0/s1
InChIKey
YKLNVZKUYHNBCF-BJSFWKCMSA-N
Compound name
(1S,2S,5S,8R,9R,10R,13S)-9-hydroxy-5-methyl-13-propan-2-yl-7,11-dioxatetracyclo[8.2.1.02,8.05,8]tridecane-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13107 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13835 158.3
[M+Na]+ 303.12029 164.9
[M-H]- 279.12379 163.8
[M+NH4]+ 298.16489 175.5
[M+K]+ 319.09423 166.6
[M+H-H2O]+ 263.12833 153.2
[M+HCOO]- 325.12927 169.2
[M+CH3COO]- 339.14492 203.5
[M+Na-2H]- 301.10574 160.8
[M]+ 280.13052 169.4
[M]- 280.13162 169.4
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

No patent data available for this compound.