CID 116092

63981-41-9

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₂

SMILES

CCCCN1CCN(CC1)C(=O)OCC

InChI

InChI=1S/C11H22N2O2/c1-3-5-6-12-7-9-13(10-8-12)11(14)15-4-2/h3-10H2,1-2H3

InChIKey

PBOTXPDTKKNNFI-UHFFFAOYSA-N

Compound name

ethyl 4-butylpiperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 214.16812 Da
Monoisotopic Mass: 1.6
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]+	215.17540	153.0
[M+Na]+	237.15734	157.5
[M-H]-	213.16084	152.6
[M+NH4]+	232.20194	169.0
[M+K]+	253.13128	156.5
[M+H-H2O]+	197.16538	145.1
[M+HCOO]-	259.16632	169.6
[M+CH3COO]-	273.18197	187.6
[M+Na-2H]-	235.14279	155.2
[M]+	214.16757	152.1
[M]-	214.16867	152.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe