CID 54592569

1-methyl-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)pyridin-1-ium iodide

Structural Information

Molecular Formula
C10H12N3O2
SMILES
CC1(C(=O)NC(=O)N1)C2=CC=[N+](C=C2)C
InChI
InChI=1S/C10H11N3O2/c1-10(8(14)11-9(15)12-10)7-3-5-13(2)6-4-7/h3-6H,1-2H3,(H-,11,12,14,15)/p+1
InChIKey
ALMUHJCRDANSSK-UHFFFAOYSA-O
Compound name
5-methyl-5-(1-methylpyridin-1-ium-4-yl)imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.09296 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10024 144.8
[M+Na]+ 229.08218 154.2
[M-H]- 205.08568 146.0
[M+NH4]+ 224.12678 162.0
[M+K]+ 245.05612 144.5
[M+H-H2O]+ 189.09022 140.4
[M+HCOO]- 251.09116 162.0
[M+CH3COO]- 265.10681 172.0
[M+Na-2H]- 227.06763 151.2
[M]+ 206.09241 139.9
[M]- 206.09351 139.9
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.