CID 45789748

2-amino-4-iodopyrimidine

Structural Information

Molecular Formula
C4H4IN3
SMILES
C1=CN=C(N=C1I)N
InChI
InChI=1S/C4H4IN3/c5-3-1-2-7-4(6)8-3/h1-2H,(H2,6,7,8)
InChIKey
YTFBUSIUBSVISR-UHFFFAOYSA-N
Compound name
4-iodopyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

220.94499 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.95227 126.9
[M+Na]+ 243.93421 132.1
[M+NH4]+ 238.97881 130.9
[M+K]+ 259.90815 129.8
[M-H]- 219.93771 122.3
[M+Na-2H]- 241.91966 122.0
[M]+ 220.94444 125.1
[M]- 220.94554 125.1
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