CID 28064962

2-chloro-6-(1-pyrrolidinylcarbonyl)pyrazine

Structural Information

Molecular Formula

C₉H₁₀ClN₃O

SMILES

C1CCN(C1)C(=O)C2=CN=CC(=N2)Cl

InChI

InChI=1S/C9H10ClN3O/c10-8-6-11-5-7(12-8)9(14)13-3-1-2-4-13/h5-6H,1-4H2

InChIKey

PTLWXHNMPCCMKS-UHFFFAOYSA-N

Compound name

(6-chloropyrazin-2-yl)-pyrrolidin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 211.05124 Da
Monoisotopic Mass: 1.0
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]+	212.058516	144.0
[M+Na]+	234.040458	152.3
[M-H]-	210.043964	146.2
[M+NH4]+	229.085063	160.9
[M+K]+	250.014398	148.5
[M+H-H2O]+	194.048500	135.3
[M+HCOO]-	256.049441	158.6
[M+CH3COO]-	270.065091	155.9
[M+Na-2H]-	232.025906	147.5
[M]+	211.05069142	142.9
[M]-	211.05178858	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe