CID 20550

2-chloro-4,6-dimethylpyrimidine

Structural Information

Molecular Formula
C6H7ClN2
SMILES
CC1=CC(=NC(=N1)Cl)C
InChI
InChI=1S/C6H7ClN2/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3
InChIKey
RZVPFDOTMFYQHR-UHFFFAOYSA-N
Compound name
2-chloro-4,6-dimethylpyrimidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1151
Patents

142.02977 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.03705 124.4
[M+Na]+ 165.01899 140.1
[M+NH4]+ 160.06359 133.8
[M+K]+ 180.99293 132.8
[M-H]- 141.02249 126.4
[M+Na-2H]- 163.00444 132.8
[M]+ 142.02922 127.6
[M]- 142.03032 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

literature stripe

Patent stripe

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