CID 28064962

959241-31-7

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: 4
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]+	212.05852	143.5
[M+Na]+	234.04046	156.3
[M+NH4]+	229.08506	151.3
[M+K]+	250.01440	151.7
[M-H]-	210.04396	144.9
[M+Na-2H]-	232.02591	150.3
[M]+	211.05069	145.7
[M]-	211.05179	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe