CID 131708299

(13r)-9,13-epoxylabd-14-ene

Structural Information

Molecular Formula
C20H34O
SMILES
C[C@@H]1CC[C@@H]2[C@@]([C@@]13CCC(O3)(C)C=C)(CCCC2(C)C)C
InChI
InChI=1S/C20H34O/c1-7-18(5)13-14-20(21-18)15(2)9-10-16-17(3,4)11-8-12-19(16,20)6/h7,15-16H,1,8-14H2,2-6H3/t15-,16+,18?,19+,20-/m1/s1
InChIKey
YFIVBYGSVFHTOP-NJNUCJBSSA-N
Compound name
(4aS,7R,8R,8aS)-5'-ethenyl-4,4,5',7,8a-pentamethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-oxolane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.26096 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.268236 169.0
[M+Na]+ 313.250178 175.5
[M-H]- 289.253684 175.2
[M+NH4]+ 308.294783 194.5
[M+K]+ 329.224118 172.0
[M+H-H2O]+ 273.258220 164.1
[M+HCOO]- 335.259161 181.1
[M+CH3COO]- 349.274811 204.1
[M+Na-2H]- 311.235626 171.3
[M]+ 290.26041142 164.4
[M]- 290.26150858 164.4
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.