CID 11601669

Cannabidivarin

Structural Information

Molecular Formula
C19H26O2
SMILES
CCCC1=CC(=C(C(=C1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O
InChI
InChI=1S/C19H26O2/c1-5-6-14-10-17(20)19(18(21)11-14)16-9-13(4)7-8-15(16)12(2)3/h9-11,15-16,20-21H,2,5-8H2,1,3-4H3/t15-,16+/m0/s1
InChIKey
REOZWEGFPHTFEI-JKSUJKDBSA-N
Compound name
2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

68
References

6323
Patents

286.19327 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.200546 169.7
[M+Na]+ 309.182488 175.8
[M-H]- 285.185994 173.6
[M+NH4]+ 304.227093 184.8
[M+K]+ 325.156428 170.7
[M+H-H2O]+ 269.190530 163.1
[M+HCOO]- 331.191471 186.1
[M+CH3COO]- 345.207121 202.8
[M+Na-2H]- 307.167936 167.5
[M]+ 286.19272142 167.6
[M]- 286.19381858 167.6
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