CID 101820920

Citrylidenecannabis

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-/m1/s1
InChIKey
IXJXRDCCQRZSDV-VWKPWSFCSA-N
Compound name
(1R,4S,13R)-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
3
Annotation Hits

0
References

2431
Patents

314.22458 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.231856 177.6
[M+Na]+ 337.213798 183.6
[M-H]- 313.217304 180.9
[M+NH4]+ 332.258403 197.7
[M+K]+ 353.187738 181.2
[M+H-H2O]+ 297.221840 169.1
[M+HCOO]- 359.222781 186.4
[M+CH3COO]- 373.238431 187.1
[M+Na-2H]- 335.199246 184.3
[M]+ 314.22403142 180.4
[M]- 314.22512858 180.4
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