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]+ 333.206036 177.4
[M+Na]+ 355.187978 185.6
[M-H]- 331.191484 185.5
[M+NH4]+ 350.232583 188.3
[M+K]+ 371.161918 189.5
[M+H-H2O]+ 315.196020 173.4
[M+HCOO]- 377.196961 178.0
[M+CH3COO]- 391.212611 185.4
[M+Na-2H]- 353.173426 181.2
[M]+ 332.19821142 184.2
[M]- 332.19930858 184.2
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.