CID 122238884

Methyl 1-(6-chloropyrimidin-4-yl)pyrrolidine-3-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₂ClN₃O₂

SMILES

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

InChI

InChI=1S/C10H12ClN3O2/c1-16-10(15)7-2-3-14(5-7)9-4-8(11)12-6-13-9/h4,6-7H,2-3,5H2,1H3

InChIKey

HCOOBXSWFBFLFG-UHFFFAOYSA-N

Compound name

methyl 1-(6-chloropyrimidin-4-yl)pyrrolidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 241.0618 Da
Monoisotopic Mass: 1.6
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]+	242.069076	151.1
[M+Na]+	264.051018	159.7
[M-H]-	240.054524	153.6
[M+NH4]+	259.095623	167.0
[M+K]+	280.024958	156.2
[M+H-H2O]+	224.059060	142.4
[M+HCOO]-	286.060001	165.5
[M+CH3COO]-	300.075651	188.3
[M+Na-2H]-	262.036466	153.3
[M]+	241.06125142	152.2
[M]-	241.06234858	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.