CID 17750349

525587-00-2

Structural Information

Molecular Formula

C₁₁H₂₁N₃O₃

SMILES

CC(C)(C)OC(=O)NCC(=O)N1CCNCC1

InChI

InChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)13-8-9(15)14-6-4-12-5-7-14/h12H,4-8H2,1-3H3,(H,13,16)

InChIKey

PVPLWNKSNCRQIL-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-oxo-2-piperazin-1-ylethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 243.1583 Da
Monoisotopic Mass: -0.2
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]+	244.16558	157.4
[M+Na]+	266.14752	163.5
[M+NH4]+	261.19212	161.7
[M+K]+	282.12146	161.1
[M-H]-	242.15102	154.9
[M+Na-2H]-	264.13297	158.7
[M]+	243.15775	156.9
[M]-	243.15885	156.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe