CID 1074765

100939-90-0

Structural Information

Molecular Formula

C₁₁H₁₃ClN₂O

SMILES

C1CN(CCN1)C(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C11H13ClN2O/c12-10-3-1-2-9(8-10)11(15)14-6-4-13-5-7-14/h1-3,8,13H,4-7H2

InChIKey

FBTDRVSCKFZIQH-UHFFFAOYSA-N

Compound name

(3-chlorophenyl)-piperazin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 29
Patents: 224.07164 Da
Monoisotopic Mass: 1.4
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]+	225.07892	148.7
[M+Na]+	247.06086	161.9
[M+NH4]+	242.10546	156.9
[M+K]+	263.03480	154.8
[M-H]-	223.06436	151.2
[M+Na-2H]-	245.04631	155.9
[M]+	224.07109	151.4
[M]-	224.07219	151.4

Literature stripe

literature stripe

Patent stripe

patents stripe