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
1
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

literature stripe

Patent stripe

patents stripe