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

42
Patents

233.9654 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.97268 127.3
[M+Na]+ 256.95462 130.6
[M-H]- 232.95812 122.0
[M+NH4]+ 251.99922 142.5
[M+K]+ 272.92856 134.8
[M+H-H2O]+ 216.96266 117.4
[M+HCOO]- 278.96360 145.0
[M+CH3COO]- 292.97925 181.8
[M+Na-2H]- 254.94007 123.7
[M]+ 233.96485 125.5
[M]- 233.96595 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