CID 21593836

[(1r,2r,4r,5s,6s,7r)-2,8-dimethyl-10-oxo-5-propan-2-yl-4-tricyclo[5.3.0.02,6]dec-8-enyl] acetate

Structural Information

Molecular Formula
C17H24O3
SMILES
CC1=CC(=O)[C@@H]2[C@H]1[C@@H]3[C@]2(C[C@H]([C@H]3C(C)C)OC(=O)C)C
InChI
InChI=1S/C17H24O3/c1-8(2)13-12(20-10(4)18)7-17(5)15-11(19)6-9(3)14(15)16(13)17/h6,8,12-16H,7H2,1-5H3/t12-,13-,14+,15-,16-,17+/m1/s1
InChIKey
GGMFQNOZGRZQKM-DBHDPKECSA-N
Compound name
[(1R,2R,4R,5S,6S,7R)-2,8-dimethyl-10-oxo-5-propan-2-yl-4-tricyclo[5.3.0.02,6]dec-8-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.17255 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.179826 166.8
[M+Na]+ 299.161768 173.7
[M-H]- 275.165274 172.7
[M+NH4]+ 294.206373 184.7
[M+K]+ 315.135708 173.5
[M+H-H2O]+ 259.169810 160.0
[M+HCOO]- 321.170751 183.7
[M+CH3COO]- 335.186401 207.1
[M+Na-2H]- 297.147216 164.0
[M]+ 276.17200142 178.8
[M]- 276.17309858 178.8
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.