CID 145712506

Chebi:145549

Structural Information

Molecular Formula
C20H34O
SMILES
C[C@@H]1CC[C@@H]2[C@@]([C@]1(CCC(=C)C=C)O)(CCCC2(C)C)C
InChI
InChI=1S/C20H34O/c1-7-15(2)11-14-20(21)16(3)9-10-17-18(4,5)12-8-13-19(17,20)6/h7,16-17,21H,1-2,8-14H2,3-6H3/t16-,17+,19+,20-/m1/s1
InChIKey
PDMYSSCHAFCEEN-LCLWPZTBSA-N
Compound name
(1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-(3-methylidenepent-4-enyl)-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.26096 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.268236 171.3
[M+Na]+ 313.250178 176.0
[M-H]- 289.253684 173.0
[M+NH4]+ 308.294783 193.5
[M+K]+ 329.224118 171.5
[M+H-H2O]+ 273.258220 167.2
[M+HCOO]- 335.259161 182.7
[M+CH3COO]- 349.274811 204.9
[M+Na-2H]- 311.235626 171.9
[M]+ 290.26041142 166.5
[M]- 290.26150858 166.5
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.