CID 30219

Cannabichromene

Structural Information

Molecular Formula
C21H30O2
SMILES
CCCCCC1=CC(=C2C=CC(OC2=C1)(C)CCC=C(C)C)O
InChI
InChI=1S/C21H30O2/c1-5-6-7-10-17-14-19(22)18-11-13-21(4,23-20(18)15-17)12-8-9-16(2)3/h9,11,13-15,22H,5-8,10,12H2,1-4H3
InChIKey
UVOLYTDXHDXWJU-UHFFFAOYSA-N
Compound name
2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

101
References

10942
Patents

314.22458 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.231856 179.9
[M+Na]+ 337.213798 186.1
[M-H]- 313.217304 183.0
[M+NH4]+ 332.258403 196.2
[M+K]+ 353.187738 182.1
[M+H-H2O]+ 297.221840 173.4
[M+HCOO]- 359.222781 196.0
[M+CH3COO]- 373.238431 209.0
[M+Na-2H]- 335.199246 182.1
[M]+ 314.22403142 183.1
[M]- 314.22512858 183.1
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

patents stripe