CID 643495

Benzyl piperazine-1-carboxylate

Structural Information

Molecular Formula
C12H16N2O2
SMILES
C1CN(CCN1)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C12H16N2O2/c15-12(14-8-6-13-7-9-14)16-10-11-4-2-1-3-5-11/h1-5,13H,6-10H2
InChIKey
CTOUWUYDDUSBQE-UHFFFAOYSA-N
Compound name
benzyl piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4628
Patents

220.12119 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 150.8
[M+Na]+ 243.11041 154.7
[M-H]- 219.11391 152.1
[M+NH4]+ 238.15501 164.9
[M+K]+ 259.08435 151.7
[M+H-H2O]+ 203.11845 141.9
[M+HCOO]- 265.11939 166.9
[M+CH3COO]- 279.13504 182.6
[M+Na-2H]- 241.09586 155.3
[M]+ 220.12064 145.3
[M]- 220.12174 145.3
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