CID 20839119

Schembl9492727

Structural Information

Molecular Formula
C20H34O2
SMILES
CC\1CC/C=C(/CC/C=C(\C(CC(/C=C1)(C(C)C)O)O)/C)\C
InChI
InChI=1S/C20H34O2/c1-15(2)20(22)13-12-17(4)9-6-8-16(3)10-7-11-18(5)19(21)14-20/h8,11-13,15,17,19,21-22H,6-7,9-10,14H2,1-5H3/b13-12+,16-8+,18-11-
InChIKey
ZXLGWTDXLNZEIO-BGUJGXIJSA-N
Compound name
(4Z,8E,13E)-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

306.2559 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.263176 175.9
[M+Na]+ 329.245118 180.7
[M-H]- 305.248624 175.3
[M+NH4]+ 324.289723 189.4
[M+K]+ 345.219058 177.8
[M+H-H2O]+ 289.253160 174.3
[M+HCOO]- 351.254101 189.7
[M+CH3COO]- 365.269751 198.3
[M+Na-2H]- 327.230566 173.0
[M]+ 306.25535142 169.5
[M]- 306.25644858 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

No literature data available for this compound.

Patent stripe

patents stripe