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

72
Patents

243.1583 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.16558 159.1
[M+Na]+ 266.14752 161.9
[M-H]- 242.15102 157.4
[M+NH4]+ 261.19212 172.5
[M+K]+ 282.12146 160.9
[M+H-H2O]+ 226.15556 151.7
[M+HCOO]- 288.15650 173.1
[M+CH3COO]- 302.17215 190.0
[M+Na-2H]- 264.13297 161.7
[M]+ 243.15775 154.7
[M]- 243.15885 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