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]+ 307.263176 185.6
[M+Na]+ 329.245118 186.9
[M-H]- 305.248624 181.1
[M+NH4]+ 324.289723 199.2
[M+K]+ 345.219058 181.6
[M+H-H2O]+ 289.253160 179.8
[M+HCOO]- 351.254101 199.2
[M+CH3COO]- 365.269751 205.2
[M+Na-2H]- 327.230566 179.3
[M]+ 306.25535142 185.5
[M]- 306.25644858 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

literature stripe

Patent stripe

patents stripe