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

495
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 170.7
[M-H]- 270.14995 167.5
[M+NH4]+ 289.19105 184.7
[M+K]+ 310.12039 165.7
[M+H-H2O]+ 254.15449 156.3
[M+HCOO]- 316.15543 178.0
[M+CH3COO]- 330.17108 174.5
[M+Na-2H]- 292.13190 167.8
[M]+ 271.15668 160.7
[M]- 271.15778 160.7
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