CID 20284966

4-chloro-n,n-dimethylpyrimidin-2-amine

Structural Information

Molecular Formula
C6H8ClN3
SMILES
CN(C)C1=NC=CC(=N1)Cl
InChI
InChI=1S/C6H8ClN3/c1-10(2)6-8-4-3-5(7)9-6/h3-4H,1-2H3
InChIKey
CJKPZNGEVQSIND-UHFFFAOYSA-N
Compound name
4-chloro-N,N-dimethylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

157.04068 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.04796 128.5
[M+Na]+ 180.02990 138.2
[M-H]- 156.03340 131.0
[M+NH4]+ 175.07450 148.2
[M+K]+ 196.00384 136.1
[M+H-H2O]+ 140.03794 121.7
[M+HCOO]- 202.03888 148.2
[M+CH3COO]- 216.05453 180.9
[M+Na-2H]- 178.01535 136.9
[M]+ 157.04013 131.0
[M]- 157.04123 131.0
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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