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 177.4
[M+Na]+ 355.18798 185.6
[M-H]- 331.19148 185.5
[M+NH4]+ 350.23258 188.3
[M+K]+ 371.16192 189.5
[M+H-H2O]+ 315.19602 173.4
[M+HCOO]- 377.19696 178.0
[M+CH3COO]- 391.21261 185.4
[M+Na-2H]- 353.17343 181.2
[M]+ 332.19821 184.2
[M]- 332.19931 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.