CID 11436236

2-iodo-4,6-dimethylpyrimidine

Structural Information

Molecular Formula
C6H7IN2
SMILES
CC1=CC(=NC(=N1)I)C
InChI
InChI=1S/C6H7IN2/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3
InChIKey
HYQMOIDHGGDJMH-UHFFFAOYSA-N
Compound name
2-iodo-4,6-dimethylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

41
Patents

233.9654 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.972676 127.3
[M+Na]+ 256.954618 130.6
[M-H]- 232.958124 122.0
[M+NH4]+ 251.999223 142.5
[M+K]+ 272.928558 134.8
[M+H-H2O]+ 216.962660 117.4
[M+HCOO]- 278.963601 145.0
[M+CH3COO]- 292.979251 181.8
[M+Na-2H]- 254.940066 123.7
[M]+ 233.96485142 125.5
[M]- 233.96594858 125.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe