CID 28505547

Dtxsid60716650

Structural Information

Molecular Formula

C₁₁H₂₁N₃O₃

SMILES

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

InChI

InChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-6-4-13(5-7-14)9(15)8-12/h4-8,12H2,1-3H3

InChIKey

ZZJVMJWYXXRNPF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 243.1583 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]+	244.165576	158.7
[M+Na]+	266.147518	163.0
[M-H]-	242.151024	158.3
[M+NH4]+	261.192123	173.0
[M+K]+	282.121458	162.5
[M+H-H2O]+	226.155560	151.5
[M+HCOO]-	288.156501	173.6
[M+CH3COO]-	302.172151	193.1
[M+Na-2H]-	264.132966	160.1
[M]+	243.15775142	155.6
[M]-	243.15884858	155.6

Literature stripe

literature stripe

Patent stripe

patents stripe