CID 21855604

Isocannabichromen

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

314.22458 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.23186 179.7
[M+Na]+ 337.21380 192.2
[M+NH4]+ 332.25840 188.7
[M+K]+ 353.18774 182.1
[M-H]- 313.21730 183.2
[M+Na-2H]- 335.19925 184.4
[M]+ 314.22403 182.7
[M]- 314.22513 182.7
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