CID 75028833

9030-23-3

Structural Information

Molecular Formula
C20H34O3
SMILES
CC1=CCCC(=CC(CC(C=CC(CC1)C(C)C)(C)O)O)CO
InChI
InChI=1S/C20H34O3/c1-15(2)18-9-8-16(3)6-5-7-17(14-21)12-19(22)13-20(4,23)11-10-18/h6,10-12,15,18-19,21-23H,5,7-9,13-14H2,1-4H3
InChIKey
UINPBQUOIXYDBI-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-1,9-dimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2508 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.25808 177.4
[M+Na]+ 345.24002 186.6
[M+NH4]+ 340.28462 184.1
[M+K]+ 361.21396 179.3
[M-H]- 321.24352 178.8
[M+Na-2H]- 343.22547 182.0
[M]+ 322.25025 178.8
[M]- 322.25135 178.8
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.