CID 95171

1,4-dipropionylpiperazine

Structural Information

Molecular Formula

C₁₀H₁₈N₂O₂

SMILES

CCC(=O)N1CCN(CC1)C(=O)CC

InChI

InChI=1S/C10H18N2O2/c1-3-9(13)11-5-7-12(8-6-11)10(14)4-2/h3-8H2,1-2H3

InChIKey

QEKXDZCHBZODIX-UHFFFAOYSA-N

Compound name

1-(4-propanoylpiperazin-1-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 37
Patents: 198.13683 Da
Monoisotopic Mass: 0.0
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]+	199.14411	146.8
[M+Na]+	221.12605	151.9
[M-H]-	197.12955	146.8
[M+NH4]+	216.17065	163.3
[M+K]+	237.09999	151.0
[M+H-H2O]+	181.13409	139.5
[M+HCOO]-	243.13503	163.0
[M+CH3COO]-	257.15068	184.6
[M+Na-2H]-	219.11150	148.5
[M]+	198.13628	144.3
[M]-	198.13738	144.3

Literature stripe

literature stripe

Patent stripe

patents stripe