CID 59444380

Cannabipinol

Structural Information

Molecular Formula
C21H30O2
SMILES
CCCCCC1=CC(=C2[C@@H]3[C@H]4[C@@H](C3(C)C)CC[C@]4(OC2=C1)C)O
InChI
InChI=1S/C21H30O2/c1-5-6-7-8-13-11-15(22)17-16(12-13)23-21(4)10-9-14-18(21)19(17)20(14,2)3/h11-12,14,18-19,22H,5-10H2,1-4H3/t14-,18+,19+,21+/m0/s1
InChIKey
IGHTZQUIFGUJTG-QSMXQIJUSA-N
Compound name
(1R,9R,12S,14R)-9,13,13-trimethyl-5-pentyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2,4,6-trien-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

1328
Patents

314.22458 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.231856 178.8
[M+Na]+ 337.213798 185.9
[M-H]- 313.217304 183.5
[M+NH4]+ 332.258403 194.9
[M+K]+ 353.187738 184.1
[M+H-H2O]+ 297.221840 169.7
[M+HCOO]- 359.222781 191.1
[M+CH3COO]- 373.238431 213.4
[M+Na-2H]- 335.199246 181.3
[M]+ 314.22403142 190.9
[M]- 314.22512858 190.9
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.