CID 10245

N-methylcytisine hydriodide

Structural Information

Molecular Formula
C12H16N2O
SMILES
CC1C2CNCC1C3=CC=CC(=O)N3C2
InChI
InChI=1S/C12H16N2O/c1-8-9-5-13-6-10(8)11-3-2-4-12(15)14(11)7-9/h2-4,8-10,13H,5-7H2,1H3
InChIKey
RGKIXECTVPHJLM-UHFFFAOYSA-N
Compound name
13-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.12627 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 145.6
[M+Na]+ 227.11549 158.9
[M+NH4]+ 222.16009 155.0
[M+K]+ 243.08943 151.3
[M-H]- 203.11899 146.8
[M+Na-2H]- 225.10094 149.0
[M]+ 204.12572 147.7
[M]- 204.12682 147.7
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.