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 144.8
[M+Na]+ 227.11549 152.5
[M-H]- 203.11899 144.1
[M+NH4]+ 222.16009 163.3
[M+K]+ 243.08943 147.7
[M+H-H2O]+ 187.12353 137.4
[M+HCOO]- 249.12447 158.1
[M+CH3COO]- 263.14012 155.7
[M+Na-2H]- 225.10094 152.0
[M]+ 204.12572 140.5
[M]- 204.12682 140.5
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.