CID 5168698

8alpha-13(16),14-labdadien-8-ol

Structural Information

Molecular Formula
C20H34O
SMILES
CC1(CCCC2(C1CCC(C2CCC(=C)C=C)(C)O)C)C
InChI
InChI=1S/C20H34O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,16-17,21H,1-2,8-14H2,3-6H3
InChIKey
JTWQQJDENGGSBJ-UHFFFAOYSA-N
Compound name
2,5,5,8a-tetramethyl-1-(3-methylidenepent-4-enyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

32
Patents

290.26096 Da
Monoisotopic Mass

6.5
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

patents stripe