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 180.4
[M+Na]+ 345.24002 184.6
[M-H]- 321.24352 178.3
[M+NH4]+ 340.28462 192.4
[M+K]+ 361.21396 181.5
[M+H-H2O]+ 305.24806 178.9
[M+HCOO]- 367.24900 192.8
[M+CH3COO]- 381.26465 198.1
[M+Na-2H]- 343.22547 177.1
[M]+ 322.25025 173.6
[M]- 322.25135 173.6
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.