CID 135480614

22294-57-1

Structural Information

Molecular Formula
C5H6IN3O
SMILES
CC1=C(C(=O)NC(=N1)N)I
InChI
InChI=1S/C5H6IN3O/c1-2-3(6)4(10)9-5(7)8-2/h1H3,(H3,7,8,9,10)
InChIKey
LIZYQAUQOBJSBC-UHFFFAOYSA-N
Compound name
2-amino-5-iodo-4-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

250.95557 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.96285 136.2
[M+Na]+ 273.94479 139.7
[M-H]- 249.94829 129.7
[M+NH4]+ 268.98939 149.7
[M+K]+ 289.91873 142.6
[M+H-H2O]+ 233.95283 126.3
[M+HCOO]- 295.95377 153.4
[M+CH3COO]- 309.96942 182.7
[M+Na-2H]- 271.93024 130.5
[M]+ 250.95502 131.6
[M]- 250.95612 131.6
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