CID 13261511

5-iodo-n-methylpyrimidin-2-amine

Structural Information

Molecular Formula
C5H6IN3
SMILES
CNC1=NC=C(C=N1)I
InChI
InChI=1S/C5H6IN3/c1-7-5-8-2-4(6)3-9-5/h2-3H,1H3,(H,7,8,9)
InChIKey
JNEAWFSSFYRAMO-UHFFFAOYSA-N
Compound name
5-iodo-N-methylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

234.96065 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.967926 130.9
[M+Na]+ 257.949868 132.7
[M-H]- 233.953374 125.3
[M+NH4]+ 252.994473 145.3
[M+K]+ 273.923808 137.0
[M+H-H2O]+ 217.957910 120.3
[M+HCOO]- 279.958851 149.8
[M+CH3COO]- 293.974501 182.4
[M+Na-2H]- 255.935316 128.3
[M]+ 234.96010142 127.6
[M]- 234.96119858 127.6
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