CID 15119671

(+)-verticillol

Structural Information

Molecular Formula
C20H34O
SMILES
C/C/1=C\CC/C(=C/C[C@H]2CC[C@@]([C@@H](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/b15-9+,16-8+/t17-,18+,20+/m0/s1
InChIKey
CQWSCMMFUZYKBO-CXFBFUJHSA-N
Compound name
(1R,3E,7E,11R,12R)-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

0
Patents

290.26096 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.26824 173.9
[M+Na]+ 313.25018 179.5
[M-H]- 289.25368 173.1
[M+NH4]+ 308.29478 192.5
[M+K]+ 329.22412 176.2
[M+H-H2O]+ 273.25822 172.2
[M+HCOO]- 335.25916 185.9
[M+CH3COO]- 349.27481 199.5
[M+Na-2H]- 311.23563 174.6
[M]+ 290.26041 167.4
[M]- 290.26151 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

literature stripe

Patent stripe

No patent data available for this compound.