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]+ 315.23186 178.8
[M+Na]+ 337.21380 185.9
[M-H]- 313.21730 183.5
[M+NH4]+ 332.25840 194.9
[M+K]+ 353.18774 184.1
[M+H-H2O]+ 297.22184 169.7
[M+HCOO]- 359.22278 191.1
[M+CH3COO]- 373.23843 213.4
[M+Na-2H]- 335.19925 181.3
[M]+ 314.22403 190.9
[M]- 314.22513 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.