CID 186149

Cannabicitran

Structural Information

Molecular Formula
C21H30O2
SMILES
CCCCCC1=CC2=C3[C@H]4C[C@@](CC[C@H]4C(O2)(C)C)(OC3=C1)C
InChI
InChI=1S/C21H30O2/c1-5-6-7-8-14-11-17-19-15-13-21(4,23-18(19)12-14)10-9-16(15)20(2,3)22-17/h11-12,15-16H,5-10,13H2,1-4H3/t15-,16+,21+/m0/s1
InChIKey
IXJXRDCCQRZSDV-GCKMJXCFSA-N
Compound name
(1R,4R,13S)-1,5,5-trimethyl-9-pentyl-6,15-dioxatetracyclo[9.3.1.04,13.07,12]pentadeca-7(12),8,10-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.22458 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.23186 179.1
[M+Na]+ 337.21380 192.3
[M+NH4]+ 332.25840 192.4
[M+K]+ 353.18774 179.6
[M-H]- 313.21730 184.4
[M+Na-2H]- 335.19925 181.5
[M]+ 314.22403 183.2
[M]- 314.22513 183.2
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

No patent data available for this compound.