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

10
Patents

236.93991 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.947186 132.0
[M+Na]+ 259.929128 135.0
[M-H]- 235.932634 125.3
[M+NH4]+ 254.973733 145.6
[M+K]+ 275.903068 138.1
[M+H-H2O]+ 219.937170 122.0
[M+HCOO]- 281.938111 149.5
[M+CH3COO]- 295.953761 178.7
[M+Na-2H]- 257.914576 127.5
[M]+ 236.93936142 126.7
[M]- 236.94045858 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