CID 21769966

Cocculine

Structural Information

Molecular Formula
C17H21NO2
SMILES
CO[C@H]1CC=C2CCN3[C@]2(C1)C4=C(CC3)C=CC(=C4)O
InChI
InChI=1S/C17H21NO2/c1-20-15-5-3-13-7-9-18-8-6-12-2-4-14(19)10-16(12)17(13,18)11-15/h2-4,10,15,19H,5-9,11H2,1H3/t15-,17-/m0/s1
InChIKey
HJMBLPWMTXSDPK-RDJZCZTQSA-N
Compound name
(2S,13bS)-2-methoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinolin-12-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

479
References

0
Patents

271.15723 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.16451 164.0
[M+Na]+ 294.14645 176.1
[M+NH4]+ 289.19105 175.4
[M+K]+ 310.12039 168.2
[M-H]- 270.14995 167.2
[M+Na-2H]- 292.13190 168.8
[M]+ 271.15668 166.8
[M]- 271.15778 166.8
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

No patent data available for this compound.