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

2277
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 177.6
[M+Na]+ 337.21380 183.6
[M-H]- 313.21730 180.9
[M+NH4]+ 332.25840 197.7
[M+K]+ 353.18774 181.2
[M+H-H2O]+ 297.22184 169.1
[M+HCOO]- 359.22278 186.4
[M+CH3COO]- 373.23843 187.1
[M+Na-2H]- 335.19925 184.3
[M]+ 314.22403 180.4
[M]- 314.22513 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