CID 22309524

4-chloro-6-(pyrrolidin-1-yl)pyrimidine

Structural Information

Molecular Formula

C₈H₁₀ClN₃

SMILES

C1CCN(C1)C2=CC(=NC=N2)Cl

InChI

InChI=1S/C8H10ClN3/c9-7-5-8(11-6-10-7)12-3-1-2-4-12/h5-6H,1-4H2

InChIKey

DJVYVHPCLCIYDY-UHFFFAOYSA-N

Compound name

4-chloro-6-pyrrolidin-1-ylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 37
Patents: 183.05632 Da
Monoisotopic Mass: 2.1
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]+	184.06360	136.8
[M+Na]+	206.04554	150.6
[M+NH4]+	201.09014	145.7
[M+K]+	222.01948	145.0
[M-H]-	182.04904	139.2
[M+Na-2H]-	204.03099	144.8
[M]+	183.05577	139.6
[M]-	183.05687	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe