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

17
Patents

234.96065 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.96793 131.9
[M+Na]+ 257.94987 134.7
[M-H]- 233.95337 126.3
[M+NH4]+ 252.99447 146.4
[M+K]+ 273.92381 138.6
[M+H-H2O]+ 217.95791 121.7
[M+HCOO]- 279.95885 150.2
[M+CH3COO]- 293.97450 182.8
[M+Na-2H]- 255.93532 127.6
[M]+ 234.96010 128.0
[M]- 234.96120 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