CID 193299

Eudesmane

Structural Information

Molecular Formula
C15H28
SMILES
C[C@@H]1CCC[C@]2([C@H]1C[C@@H](CC2)C(C)C)C
InChI
InChI=1S/C15H28/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h11-14H,5-10H2,1-4H3/t12-,13-,14+,15-/m1/s1
InChIKey
DYEQPYSFRWUNNV-APIJFGDWSA-N
Compound name
(3R,4aS,5R,8aR)-5,8a-dimethyl-3-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

251
References

714
Patents

208.2191 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.22638 153.0
[M+Na]+ 231.20832 156.6
[M-H]- 207.21182 156.0
[M+NH4]+ 226.25292 175.1
[M+K]+ 247.18226 154.2
[M+H-H2O]+ 191.21636 147.6
[M+HCOO]- 253.21730 167.0
[M+CH3COO]- 267.23295 191.4
[M+Na-2H]- 229.19377 154.5
[M]+ 208.21855 146.8
[M]- 208.21965 146.8
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

patents stripe