CID 309479

6-chloro-n-methylpyrimidin-4-amine

Structural Information

Molecular Formula
C5H6ClN3
SMILES
CNC1=CC(=NC=N1)Cl
InChI
InChI=1S/C5H6ClN3/c1-7-5-2-4(6)8-3-9-5/h2-3H,1H3,(H,7,8,9)
InChIKey
WZVLJUBTIWFTIE-UHFFFAOYSA-N
Compound name
6-chloro-N-methylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

358
Patents

143.02502 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.03230 124.0
[M+Na]+ 166.01424 138.3
[M+NH4]+ 161.05884 133.0
[M+K]+ 181.98818 131.3
[M-H]- 142.01774 126.1
[M+Na-2H]- 163.99969 132.6
[M]+ 143.02447 126.9
[M]- 143.02557 126.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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