CID 28064966

959241-37-3

Structural Information

Molecular Formula

C₁₀H₁₃ClN₄O

SMILES

CN1CCN(CC1)C(=O)C2=CN=CC(=N2)Cl

InChI

InChI=1S/C10H13ClN4O/c1-14-2-4-15(5-3-14)10(16)8-6-12-7-9(11)13-8/h6-7H,2-5H2,1H3

InChIKey

TYIKGLQLVOCHJU-UHFFFAOYSA-N

Compound name

(6-chloropyrazin-2-yl)-(4-methylpiperazin-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 240.07779 Da
Monoisotopic Mass: 0.3
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]+	241.08507	152.2
[M+Na]+	263.06701	166.0
[M+NH4]+	258.11161	159.2
[M+K]+	279.04095	159.5
[M-H]-	239.07051	153.5
[M+Na-2H]-	261.05246	159.0
[M]+	240.07724	154.6
[M]-	240.07834	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe