CID 116099

63981-47-5

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₂

SMILES

CCCN1CCN(CC1)C(=O)OCC

InChI

InChI=1S/C10H20N2O2/c1-3-5-11-6-8-12(9-7-11)10(13)14-4-2/h3-9H2,1-2H3

InChIKey

XAOKKTRGZIWQNP-UHFFFAOYSA-N

Compound name

ethyl 4-propylpiperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 200.15248 Da
Monoisotopic Mass: 1.2
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]+	201.15976	148.5
[M+Na]+	223.14170	153.4
[M-H]-	199.14520	148.2
[M+NH4]+	218.18630	165.0
[M+K]+	239.11564	152.7
[M+H-H2O]+	183.14974	140.8
[M+HCOO]-	245.15068	165.4
[M+CH3COO]-	259.16633	184.6
[M+Na-2H]-	221.12715	151.2
[M]+	200.15193	147.3
[M]-	200.15303	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe