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
5
Annotation Hits

68
References

5975
Patents

286.19327 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.20055 169.7
[M+Na]+ 309.18249 175.8
[M-H]- 285.18599 173.6
[M+NH4]+ 304.22709 184.8
[M+K]+ 325.15643 170.7
[M+H-H2O]+ 269.19053 163.1
[M+HCOO]- 331.19147 186.1
[M+CH3COO]- 345.20712 202.8
[M+Na-2H]- 307.16794 167.5
[M]+ 286.19272 167.6
[M]- 286.19382 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.