CID 131751729

Chebi:171881

Structural Information

Molecular Formula
C20H34O4
SMILES
C/C(=C/CO)/C=C/C1C2(CCCC(C2C(C(C1(C)O)O)O)(C)C)C
InChI
InChI=1S/C20H34O4/c1-13(9-12-21)7-8-14-19(4)11-6-10-18(2,3)16(19)15(22)17(23)20(14,5)24/h7-9,14-17,21-24H,6,10-12H2,1-5H3/b8-7+,13-9-
InChIKey
RMAJUEUHZWCNQM-UFVXJIOISA-N
Compound name
4-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]-3,4a,8,8-tetramethyl-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,2,3-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

338.2457 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.25298 181.7
[M+Na]+ 361.23492 188.4
[M+NH4]+ 356.27952 191.0
[M+K]+ 377.20886 178.6
[M-H]- 337.23842 180.2
[M+Na-2H]- 359.22037 184.0
[M]+ 338.24515 182.3
[M]- 338.24625 182.3
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