CID 6918505

Jwh-133

Structural Information

Molecular Formula
C22H32O
SMILES
CCCC(C)(C)C1=CC2=C(C=C1)[C@@H]3CC(=CC[C@H]3C(O2)(C)C)C
InChI
InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1
InChIKey
YSBFLLZNALVODA-RBUKOAKNSA-N
Compound name
(6aR,10aR)-6,6,9-trimethyl-3-(2-methylpentan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

241
References

696
Patents

312.24533 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.25261 179.1
[M+Na]+ 335.23455 185.8
[M-H]- 311.23805 184.3
[M+NH4]+ 330.27915 197.4
[M+K]+ 351.20849 182.3
[M+H-H2O]+ 295.24259 172.3
[M+HCOO]- 357.24353 192.1
[M+CH3COO]- 371.25918 213.1
[M+Na-2H]- 333.22000 183.4
[M]+ 312.24478 180.0
[M]- 312.24588 180.0
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