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

63
Patents

220.94499 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.952266 127.6
[M+Na]+ 243.934208 129.9
[M-H]- 219.937714 121.8
[M+NH4]+ 238.978813 142.4
[M+K]+ 259.908148 134.0
[M+H-H2O]+ 203.942250 117.3
[M+HCOO]- 265.943191 146.2
[M+CH3COO]- 279.958841 178.8
[M+Na-2H]- 241.919656 124.5
[M]+ 220.94444142 123.0
[M]- 220.94553858 123.0
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