CID 68459926

5-iodo-4-methylpyrimidin-2-amine

Structural Information

Molecular Formula
C5H6IN3
SMILES
CC1=NC(=NC=C1I)N
InChI
InChI=1S/C5H6IN3/c1-3-4(6)2-8-5(7)9-3/h2H,1H3,(H2,7,8,9)
InChIKey
AAQWMOIUBXMRJZ-UHFFFAOYSA-N
Compound name
5-iodo-4-methylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

234.96065 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.967926 131.9
[M+Na]+ 257.949868 134.7
[M-H]- 233.953374 126.3
[M+NH4]+ 252.994473 146.4
[M+K]+ 273.923808 138.6
[M+H-H2O]+ 217.957910 121.7
[M+HCOO]- 279.958851 150.2
[M+CH3COO]- 293.974501 182.8
[M+Na-2H]- 255.935316 127.6
[M]+ 234.96010142 128.0
[M]- 234.96119858 128.0
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