CID 209717

20235-17-0

Structural Information

Molecular Formula
C17H28O4
SMILES
C[C@@H]1C[C@H]([C@@H]2[C@@H]1C[C@@H]3C[C@@H]([C@]2(OC3(C)C)C)OC(=O)C)O
InChI
InChI=1S/C17H28O4/c1-9-6-13(19)15-12(9)7-11-8-14(20-10(2)18)17(15,5)21-16(11,3)4/h9,11-15,19H,6-8H2,1-5H3/t9-,11-,12-,13-,14+,15+,17-/m1/s1
InChIKey
BCOSRVBLZLQTAI-HVYOLQJHSA-N
Compound name
[(1S,2S,3R,5R,6R,8R,11S)-3-hydroxy-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-11-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

296.19876 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.20604 154.1
[M+Na]+ 319.18798 157.2
[M+NH4]+ 314.23258 161.8
[M+K]+ 335.16192 155.6
[M-H]- 295.19148 152.2
[M+Na-2H]- 317.17343 151.9
[M]+ 296.19821 154.1
[M]- 296.19931 154.1
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