CID 736777

Benzyl 3-oxopiperazine-1-carboxylate

Structural Information

Molecular Formula
C12H14N2O3
SMILES
C1CN(CC(=O)N1)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C12H14N2O3/c15-11-8-14(7-6-13-11)12(16)17-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,15)
InChIKey
BAHFPJFBMJTOPU-UHFFFAOYSA-N
Compound name
benzyl 3-oxopiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

698
Patents

234.10045 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10773 152.5
[M+Na]+ 257.08967 157.6
[M-H]- 233.09317 154.3
[M+NH4]+ 252.13427 166.2
[M+K]+ 273.06361 154.6
[M+H-H2O]+ 217.09771 143.8
[M+HCOO]- 279.09865 169.1
[M+CH3COO]- 293.11430 185.1
[M+Na-2H]- 255.07512 156.4
[M]+ 234.09990 148.2
[M]- 234.10100 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe