CID 135787872

6-amino-5-iodopyrimidin-4-ol

Structural Information

Molecular Formula
C4H4IN3O
SMILES
C1=NC(=C(C(=O)N1)I)N
InChI
InChI=1S/C4H4IN3O/c5-2-3(6)7-1-8-4(2)9/h1H,(H3,6,7,8,9)
InChIKey
JHZSQTCCDKICMM-UHFFFAOYSA-N
Compound name
4-amino-5-iodo-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

236.93991 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.94719 132.0
[M+Na]+ 259.92913 135.0
[M-H]- 235.93263 125.3
[M+NH4]+ 254.97373 145.6
[M+K]+ 275.90307 138.1
[M+H-H2O]+ 219.93717 122.0
[M+HCOO]- 281.93811 149.5
[M+CH3COO]- 295.95376 178.7
[M+Na-2H]- 257.91458 127.5
[M]+ 236.93936 126.7
[M]- 236.94046 126.7
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

patents stripe