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]+ 281.138346 158.3
[M+Na]+ 303.120288 164.9
[M-H]- 279.123794 163.8
[M+NH4]+ 298.164893 175.5
[M+K]+ 319.094228 166.6
[M+H-H2O]+ 263.128330 153.2
[M+HCOO]- 325.129271 169.2
[M+CH3COO]- 339.144921 203.5
[M+Na-2H]- 301.105736 160.8
[M]+ 280.13052142 169.4
[M]- 280.13161858 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.