CID 92762

Alpha-eudesmol

Structural Information

Molecular Formula
C15H26O
SMILES
CC1=CCC[C@]2([C@H]1C[C@@H](CC2)C(C)(C)O)C
InChI
InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13+,15-/m1/s1
InChIKey
FCSRUSQUAVXUKK-VNHYZAJKSA-N
Compound name
2-[(2R,4aR,8aR)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

18
References

799
Patents

222.19836 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 154.5
[M+Na]+ 245.18758 165.2
[M+NH4]+ 240.23218 165.3
[M+K]+ 261.16152 156.8
[M-H]- 221.19108 156.7
[M+Na-2H]- 243.17303 159.8
[M]+ 222.19781 156.9
[M]- 222.19891 156.9
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