CID 620816

(1r,3e,7e,11r,12r)-4,8,12,15,15-pentamethyl-bicyclo[9.3.1] pentadeca-3,7-dien-12-ol

Structural Information

Molecular Formula
C20H34O
SMILES
CC1=CCCC(=CCC2CCC(C(C2(C)C)CC1)(C)O)C
InChI
InChI=1S/C20H34O/c1-15-7-6-8-16(2)10-12-18-19(3,4)17(11-9-15)13-14-20(18,5)21/h8-9,17-18,21H,6-7,10-14H2,1-5H3
InChIKey
CQWSCMMFUZYKBO-UHFFFAOYSA-N
Compound name
4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-dien-12-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

290.26096 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.268236 173.9
[M+Na]+ 313.250178 179.5
[M-H]- 289.253684 173.1
[M+NH4]+ 308.294783 192.5
[M+K]+ 329.224118 176.2
[M+H-H2O]+ 273.258220 172.2
[M+HCOO]- 335.259161 185.9
[M+CH3COO]- 349.274811 199.5
[M+Na-2H]- 311.235626 174.6
[M]+ 290.26041142 167.4
[M]- 290.26150858 167.4
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

patents stripe