CID 12679394

2-chloro-4-(diethylamino)pyrimidine

Structural Information

Molecular Formula

C₈H₁₂ClN₃

SMILES

CCN(CC)C1=NC(=NC=C1)Cl

InChI

InChI=1S/C8H12ClN3/c1-3-12(4-2)7-5-6-10-8(9)11-7/h5-6H,3-4H2,1-2H3

InChIKey

IJBXLOODPFVVJL-UHFFFAOYSA-N

Compound name

2-chloro-N,N-diethylpyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
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	137.8
[M+Na]+	208.06120	146.6
[M-H]-	184.06470	140.0
[M+NH4]+	203.10580	156.4
[M+K]+	224.03514	144.1
[M+H-H2O]+	168.06924	130.6
[M+HCOO]-	230.07018	156.9
[M+CH3COO]-	244.08583	187.0
[M+Na-2H]-	206.04665	145.1
[M]+	185.07143	141.1
[M]-	185.07253	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe