CID 159551

116360-82-8

Structural Information

Molecular Formula
C20H28O4
SMILES
CC1=C2C3C4(O3)CCC5C(CCCC5(C4C6C2(O6)OC1O)C)(C)C
InChI
InChI=1S/C20H28O4/c1-10-12-14-19(22-14)9-6-11-17(2,3)7-5-8-18(11,4)13(19)15-20(12,23-15)24-16(10)21/h11,13-16,21H,5-9H2,1-4H3
InChIKey
CWSLXJMVCZTXGK-UHFFFAOYSA-N
Compound name
5,12,16,16-tetramethyl-2,7,9-trioxahexacyclo[9.8.0.01,3.04,8.08,10.012,17]nonadec-4-en-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

332.19876 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.20604 155.5
[M+Na]+ 355.18798 169.0
[M+NH4]+ 350.23258 170.1
[M+K]+ 371.16192 163.2
[M-H]- 331.19148 174.8
[M+Na-2H]- 353.17343 165.1
[M]+ 332.19821 165.9
[M]- 332.19931 165.9
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

No patent data available for this compound.