CID 45072576

Benzyl 2-(hydroxymethyl)piperazine-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C13H18N2O3
SMILES
C1CN(C(CN1)CO)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H18N2O3/c16-9-12-8-14-6-7-15(12)13(17)18-10-11-4-2-1-3-5-11/h1-5,12,14,16H,6-10H2
InChIKey
DUSWOUMCIHZHBH-UHFFFAOYSA-N
Compound name
benzyl 2-(hydroxymethyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

250.13174 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.13902 159.1
[M+Na]+ 273.12096 169.5
[M+NH4]+ 268.16556 165.2
[M+K]+ 289.09490 164.2
[M-H]- 249.12446 159.9
[M+Na-2H]- 271.10641 164.1
[M]+ 250.13119 160.4
[M]- 250.13229 160.4
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