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
2
Annotation Hits

0
References

42
Patents

356.23514 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.242416 189.0
[M+Na]+ 379.224358 195.5
[M-H]- 355.227864 194.1
[M+NH4]+ 374.268963 205.3
[M+K]+ 395.198298 192.5
[M+H-H2O]+ 339.232400 181.5
[M+HCOO]- 401.233341 202.6
[M+CH3COO]- 415.248991 220.5
[M+Na-2H]- 377.209806 190.2
[M]+ 356.23459142 192.5
[M]- 356.23568858 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