CID 14665971

13162-27-1

Structural Information

Molecular Formula

C₅H₅Cl₂N₃

SMILES

CC1=C(C(=NC(=N1)Cl)Cl)N

InChI

InChI=1S/C5H5Cl2N3/c1-2-3(8)4(6)10-5(7)9-2/h8H2,1H3

InChIKey

FDMMHWIFYCXEOF-UHFFFAOYSA-N

Compound name

2,4-dichloro-6-methylpyrimidin-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 176.98605 Da
Monoisotopic Mass: 1.8
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]+	177.99333	130.8
[M+Na]+	199.97527	142.8
[M-H]-	175.97877	131.3
[M+NH4]+	195.01987	149.7
[M+K]+	215.94921	138.0
[M+H-H2O]+	159.98331	125.6
[M+HCOO]-	221.98425	144.5
[M+CH3COO]-	235.99990	180.8
[M+Na-2H]-	197.96072	136.9
[M]+	176.98550	132.2
[M]-	176.98660	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe