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: 8
Patents: 185.07198 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	186.07926	137.5
[M+Na]+	208.06120	151.3
[M+NH4]+	203.10580	146.2
[M+K]+	224.03514	144.2
[M-H]-	184.06470	139.8
[M+Na-2H]-	206.04665	145.4
[M]+	185.07143	140.4
[M]-	185.07253	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe