CID 10235

Cytisine

Structural Information

Molecular Formula
C11H14N2O
SMILES
C1[C@H]2CNC[C@@H]1C3=CC=CC(=O)N3C2
InChI
InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1
InChIKey
ANJTVLIZGCUXLD-DTWKUNHWSA-N
Compound name
(1R,9S)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

706
References

3860
Patents

190.11061 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.117886 139.6
[M+Na]+ 213.099828 146.8
[M-H]- 189.103334 138.7
[M+NH4]+ 208.144433 158.4
[M+K]+ 229.073768 142.2
[M+H-H2O]+ 173.107870 132.1
[M+HCOO]- 235.108811 153.3
[M+CH3COO]- 249.124461 150.6
[M+Na-2H]- 211.085276 148.1
[M]+ 190.11006142 134.5
[M]- 190.11115858 134.5
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