CID 5282197

Plaunotol

Structural Information

Molecular Formula
C20H34O2
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/CO)/C)C
InChI
InChI=1S/C20H34O2/c1-17(2)8-5-9-18(3)10-6-12-20(16-22)13-7-11-19(4)14-15-21/h8,10,13-14,21-22H,5-7,9,11-12,15-16H2,1-4H3/b18-10+,19-14+,20-13-
InChIKey
SUWYPNNPLSRNPS-UNTSEYQFSA-N
Compound name
(2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

55
References

1444
Patents

306.2559 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.26318 185.6
[M+Na]+ 329.24512 186.9
[M-H]- 305.24862 181.1
[M+NH4]+ 324.28972 199.2
[M+K]+ 345.21906 181.6
[M+H-H2O]+ 289.25316 179.8
[M+HCOO]- 351.25410 199.2
[M+CH3COO]- 365.26975 205.2
[M+Na-2H]- 327.23057 179.3
[M]+ 306.25535 185.5
[M]- 306.25645 185.5
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

No patent data available for this compound.