CID 13869568

6-chloro-n,n-dimethylpyrimidin-4-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

157.04068 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.047956 128.5
[M+Na]+ 180.029898 138.2
[M-H]- 156.033404 131.0
[M+NH4]+ 175.074503 148.2
[M+K]+ 196.003838 136.1
[M+H-H2O]+ 140.037940 121.7
[M+HCOO]- 202.038881 148.2
[M+CH3COO]- 216.054531 180.9
[M+Na-2H]- 178.015346 136.9
[M]+ 157.04013142 131.0
[M]- 157.04122858 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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