CID 198013

Thc-o-acetate

Structural Information

Molecular Formula
C23H32O3
SMILES
CCCCCC1=CC2=C([C@@H]3C=C(CC[C@H]3C(O2)(C)C)C)C(=C1)OC(=O)C
InChI
InChI=1S/C23H32O3/c1-6-7-8-9-17-13-20(25-16(3)24)22-18-12-15(2)10-11-19(18)23(4,5)26-21(22)14-17/h12-14,18-19H,6-11H2,1-5H3/t18-,19-/m1/s1
InChIKey
DEWSJDIJFWQLOA-RTBURBONSA-N
Compound name
[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

356.23514 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.24242 189.0
[M+Na]+ 379.22436 195.5
[M-H]- 355.22786 194.1
[M+NH4]+ 374.26896 205.3
[M+K]+ 395.19830 192.5
[M+H-H2O]+ 339.23240 181.5
[M+HCOO]- 401.23334 202.6
[M+CH3COO]- 415.24899 220.5
[M+Na-2H]- 377.20981 190.2
[M]+ 356.23459 192.5
[M]- 356.23569 192.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe