CID 43185759

3-(piperazin-1-yl)azepan-2-one hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₉N₃O

SMILES

C1CCNC(=O)C(C1)N2CCNCC2

InChI

InChI=1S/C10H19N3O/c14-10-9(3-1-2-4-12-10)13-7-5-11-6-8-13/h9,11H,1-8H2,(H,12,14)

InChIKey

WZIITQROMQTOAB-UHFFFAOYSA-N

Compound name

3-piperazin-1-ylazepan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.15282 Da
Monoisotopic Mass: -0.2
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]+	198.160096	146.4
[M+Na]+	220.142038	147.6
[M-H]-	196.145544	145.6
[M+NH4]+	215.186643	158.3
[M+K]+	236.115978	148.0
[M+H-H2O]+	180.150080	136.4
[M+HCOO]-	242.151021	156.5
[M+CH3COO]-	256.166671	154.1
[M+Na-2H]-	218.127486	148.3
[M]+	197.15227142	131.9
[M]-	197.15336858	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.