CID 17750349

Tert-butyl n-[2-oxo-2-(piperazin-1-yl)ethyl]carbamate

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

79
Patents

243.1583 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.165576 159.1
[M+Na]+ 266.147518 161.9
[M-H]- 242.151024 157.4
[M+NH4]+ 261.192123 172.5
[M+K]+ 282.121458 160.9
[M+H-H2O]+ 226.155560 151.7
[M+HCOO]- 288.156501 173.1
[M+CH3COO]- 302.172151 190.0
[M+Na-2H]- 264.132966 161.7
[M]+ 243.15775142 154.7
[M]- 243.15884858 154.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe