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]+ 291.26824 171.3
[M+Na]+ 313.25018 176.0
[M-H]- 289.25368 173.0
[M+NH4]+ 308.29478 193.5
[M+K]+ 329.22412 171.5
[M+H-H2O]+ 273.25822 167.2
[M+HCOO]- 335.25916 182.7
[M+CH3COO]- 349.27481 204.9
[M+Na-2H]- 311.23563 171.9
[M]+ 290.26041 166.5
[M]- 290.26151 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.