CID 12356582

5-iodopyrimidin-4-ol

Structural Information

Molecular Formula
C4H3IN2O
SMILES
C1=C(C(=O)NC=N1)I
InChI
InChI=1S/C4H3IN2O/c5-3-1-6-2-7-4(3)8/h1-2H,(H,6,7,8)
InChIKey
SMIGOGPUTQXOKF-UHFFFAOYSA-N
Compound name
5-iodo-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

221.92902 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.93630 125.7
[M+Na]+ 244.91824 131.5
[M+NH4]+ 239.96284 129.2
[M+K]+ 260.89218 129.3
[M-H]- 220.92174 119.9
[M+Na-2H]- 242.90369 120.4
[M]+ 221.92847 123.7
[M]- 221.92957 123.7
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