CID 1104845

Diethyl piperazine-1,4-dipropionate

Structural Information

Molecular Formula

C₁₄H₂₆N₂O₄

SMILES

CCOC(=O)CCN1CCN(CC1)CCC(=O)OCC

InChI

InChI=1S/C14H26N2O4/c1-3-19-13(17)5-7-15-9-11-16(12-10-15)8-6-14(18)20-4-2/h3-12H2,1-2H3

InChIKey

NHSDIZSYJOGUJB-UHFFFAOYSA-N

Compound name

ethyl 3-[4-(3-ethoxy-3-oxopropyl)piperazin-1-yl]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 286.18927 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]+	287.196546	170.0
[M+Na]+	309.178488	173.1
[M-H]-	285.181994	169.1
[M+NH4]+	304.223093	182.7
[M+K]+	325.152428	172.3
[M+H-H2O]+	269.186530	161.5
[M+HCOO]-	331.187471	185.2
[M+CH3COO]-	345.203121	200.8
[M+Na-2H]-	307.163936	169.7
[M]+	286.18872142	171.9
[M]-	286.18981858	171.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe