CID 619288

2033-47-8

Structural Information

Molecular Formula
C6H8IN3
SMILES
CC1=C(C(=NC(=N1)N)C)I
InChI
InChI=1S/C6H8IN3/c1-3-5(7)4(2)10-6(8)9-3/h1-2H3,(H2,8,9,10)
InChIKey
TVGLWQPITVHTRF-UHFFFAOYSA-N
Compound name
5-iodo-4,6-dimethylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

248.97629 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.98357 136.1
[M+Na]+ 271.96551 139.4
[M-H]- 247.96901 130.7
[M+NH4]+ 267.01011 150.4
[M+K]+ 287.93945 143.0
[M+H-H2O]+ 231.97355 125.9
[M+HCOO]- 293.97449 154.1
[M+CH3COO]- 307.99014 186.8
[M+Na-2H]- 269.95096 130.6
[M]+ 248.97574 132.9
[M]- 248.97684 132.9
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