CID 13261512

5-iodo-n-methylpyrimidin-4-amine

Structural Information

Molecular Formula
C5H6IN3
SMILES
CNC1=NC=NC=C1I
InChI
InChI=1S/C5H6IN3/c1-7-5-4(6)2-8-3-9-5/h2-3H,1H3,(H,7,8,9)
InChIKey
QXQNKFMXAOIMKX-UHFFFAOYSA-N
Compound name
5-iodo-N-methylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

234.96065 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.96793 130.9
[M+Na]+ 257.94987 132.7
[M-H]- 233.95337 125.3
[M+NH4]+ 252.99447 145.3
[M+K]+ 273.92381 137.0
[M+H-H2O]+ 217.95791 120.3
[M+HCOO]- 279.95885 149.8
[M+CH3COO]- 293.97450 182.4
[M+Na-2H]- 255.93532 128.3
[M]+ 234.96010 127.6
[M]- 234.96120 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