CID 20284975

4-chloro-n,n-diethylpyrimidin-2-amine

Structural Information

Molecular Formula
C8H12ClN3
SMILES
CCN(CC)C1=NC=CC(=N1)Cl
InChI
InChI=1S/C8H12ClN3/c1-3-12(4-2)8-10-6-5-7(9)11-8/h5-6H,3-4H2,1-2H3
InChIKey
MVNADFZYWTVRNK-UHFFFAOYSA-N
Compound name
4-chloro-N,N-diethylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

185.07198 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.079256 137.8
[M+Na]+ 208.061198 146.6
[M-H]- 184.064704 140.0
[M+NH4]+ 203.105803 156.4
[M+K]+ 224.035138 144.1
[M+H-H2O]+ 168.069240 130.6
[M+HCOO]- 230.070181 156.9
[M+CH3COO]- 244.085831 187.0
[M+Na-2H]- 206.046646 145.1
[M]+ 185.07143142 141.1
[M]- 185.07252858 141.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe