CID 3844375

76816-54-1

Structural Information

Molecular Formula

C₇H₁₄N₂O

SMILES

CCC(=O)N1CCNCC1

InChI

InChI=1S/C7H14N2O/c1-2-7(10)9-5-3-8-4-6-9/h8H,2-6H2,1H3

InChIKey

YEQAMPOYHLICPF-UHFFFAOYSA-N

Compound name

1-piperazin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 902
Patents: 142.11061 Da
Monoisotopic Mass: -0.5
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]+	143.117886	133.0
[M+Na]+	165.099828	137.9
[M-H]-	141.103334	131.5
[M+NH4]+	160.144433	150.8
[M+K]+	181.073768	136.5
[M+H-H2O]+	125.107870	126.1
[M+HCOO]-	187.108811	149.2
[M+CH3COO]-	201.124461	170.4
[M+Na-2H]-	163.085276	137.5
[M]+	142.11006142	127.0
[M]-	142.11115858	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe