CID 1514400

192130-34-0

Structural Information

Molecular Formula

C₁₁H₂₃N₃O₂

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCN

InChI

InChI=1S/C11H23N3O2/c1-11(2,3)16-10(15)14-8-6-13(5-4-12)7-9-14/h4-9,12H2,1-3H3

InChIKey

QSYTWBKZNNEKPN-UHFFFAOYSA-N

Compound name

tert-butyl 4-(2-aminoethyl)piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1042
Patents: 229.17903 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]+	230.18631	157.6
[M+Na]+	252.16825	161.9
[M-H]-	228.17175	157.1
[M+NH4]+	247.21285	172.6
[M+K]+	268.14219	160.9
[M+H-H2O]+	212.17629	150.3
[M+HCOO]-	274.17723	173.1
[M+CH3COO]-	288.19288	191.6
[M+Na-2H]-	250.15370	160.0
[M]+	229.17848	154.5
[M]-	229.17958	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe