CID 3409342

2-(piperazin-1-yl)acetamide dihydrochloride

Structural Information

Molecular Formula

C₆H₁₃N₃O

SMILES

C1CN(CCN1)CC(=O)N

InChI

InChI=1S/C6H13N3O/c7-6(10)5-9-3-1-8-2-4-9/h8H,1-5H2,(H2,7,10)

InChIKey

VNRJGEMERJZKLQ-UHFFFAOYSA-N

Compound name

2-piperazin-1-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1117
Patents: 143.10587 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]+	144.113146	132.3
[M+Na]+	166.095088	136.6
[M-H]-	142.098594	130.3
[M+NH4]+	161.139693	149.3
[M+K]+	182.069028	135.0
[M+H-H2O]+	126.103130	125.1
[M+HCOO]-	188.104071	149.2
[M+CH3COO]-	202.119721	172.3
[M+Na-2H]-	164.080536	136.6
[M]+	143.10532142	124.3
[M]-	143.10641858	124.3

Literature stripe

literature stripe

Patent stripe

patents stripe