CID 2757881

145222-00-0

Structural Information

Molecular Formula

C₆H₁₁ClN₂O

SMILES

C1CN(CCN1)C(=O)CCl

InChI

InChI=1S/C6H11ClN2O/c7-5-6(10)9-3-1-8-2-4-9/h8H,1-5H2

InChIKey

BAVGVYYVPCQXSE-UHFFFAOYSA-N

Compound name

2-chloro-1-piperazin-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 162.05598 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]+	163.06326	133.4
[M+Na]+	185.04520	139.3
[M-H]-	161.04870	131.8
[M+NH4]+	180.08980	151.2
[M+K]+	201.01914	136.2
[M+H-H2O]+	145.05324	127.2
[M+HCOO]-	207.05418	145.2
[M+CH3COO]-	221.06983	171.3
[M+Na-2H]-	183.03065	138.0
[M]+	162.05543	128.8
[M]-	162.05653	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe