CID 11109567

Chebi:525464

Structural Information

Molecular Formula
C20H34O2
SMILES
C/C/1=C\CC/C(=C/[C@@H](C[C@](/C=C/[C@@H](CC1)C(C)C)(C)O)O)/C
InChI
InChI=1S/C20H34O2/c1-15(2)18-10-9-16(3)7-6-8-17(4)13-19(21)14-20(5,22)12-11-18/h7,11-13,15,18-19,21-22H,6,8-10,14H2,1-5H3/b12-11+,16-7+,17-13+/t18-,19+,20-/m1/s1
InChIKey
RIVKDDXPCFBMOV-PTDQARIVSA-N
Compound name
(1S,3R,4E,8E,12S,13E)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

6
Patents

306.2559 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.26318 175.9
[M+Na]+ 329.24512 180.7
[M-H]- 305.24862 175.3
[M+NH4]+ 324.28972 189.4
[M+K]+ 345.21906 177.8
[M+H-H2O]+ 289.25316 174.3
[M+HCOO]- 351.25410 189.7
[M+CH3COO]- 365.26975 198.3
[M+Na-2H]- 327.23057 173.0
[M]+ 306.25535 169.5
[M]- 306.25645 169.5
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