CID 9799540

Jwh-051

Structural Information

Molecular Formula
C25H38O2
SMILES
CCCCCCC(C)(C)C1=CC2=C(C=C1)[C@@H]3CC(=CC[C@H]3C(O2)(C)C)CO
InChI
InChI=1S/C25H38O2/c1-6-7-8-9-14-24(2,3)19-11-12-20-21-15-18(17-26)10-13-22(21)25(4,5)27-23(20)16-19/h10-12,16,21-22,26H,6-9,13-15,17H2,1-5H3/t21-,22+/m0/s1
InChIKey
ORTVDISIJXKUAV-FCHUYYIVSA-N
Compound name
[(6aR,10aR)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-9-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

88
Patents

370.28717 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.29445 196.0
[M+Na]+ 393.27639 208.0
[M+NH4]+ 388.32099 205.7
[M+K]+ 409.25033 197.6
[M-H]- 369.27989 200.1
[M+Na-2H]- 391.26184 199.6
[M]+ 370.28662 199.3
[M]- 370.28772 199.3
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