CID 115502

63981-42-0

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₂

SMILES

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

InChI

InChI=1S/C11H22N2O2/c1-4-10(3)12-6-8-13(9-7-12)11(14)15-5-2/h10H,4-9H2,1-3H3

InChIKey

AYSLABMBEKTPTQ-UHFFFAOYSA-N

Compound name

ethyl 4-butan-2-ylpiperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
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	152.9
[M+Na]+	237.15734	157.2
[M-H]-	213.16084	152.6
[M+NH4]+	232.20194	168.8
[M+K]+	253.13128	156.7
[M+H-H2O]+	197.16538	145.2
[M+HCOO]-	259.16632	168.5
[M+CH3COO]-	273.18197	188.5
[M+Na-2H]-	235.14279	153.9
[M]+	214.16757	151.4
[M]-	214.16867	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe