CID 25171260

Hydroxynorcytisine

Structural Information

Molecular Formula
C10H12N2O2
SMILES
C1[C@H]2CN[C@@H]1C3=CC=C(C(=O)N3C2)O
InChI
InChI=1S/C10H12N2O2/c13-9-2-1-8-7-3-6(4-11-7)5-12(8)10(9)14/h1-2,6-7,11,13H,3-5H2/t6-,7-/m0/s1
InChIKey
AFTDVOKQJZAVLI-BQBZGAKWSA-N
Compound name
(1S,9S)-5-hydroxy-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.08987 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.097146 139.3
[M+Na]+ 215.079088 148.5
[M-H]- 191.082594 138.2
[M+NH4]+ 210.123693 159.7
[M+K]+ 231.053028 143.9
[M+H-H2O]+ 175.087130 133.4
[M+HCOO]- 237.088071 154.4
[M+CH3COO]- 251.103721 151.2
[M+Na-2H]- 213.064536 145.4
[M]+ 192.08932142 136.4
[M]- 192.09041858 136.4
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.