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 158.5
[M+Na]+ 273.12096 162.5
[M-H]- 249.12446 158.7
[M+NH4]+ 268.16556 170.9
[M+K]+ 289.09490 158.9
[M+H-H2O]+ 233.12900 149.8
[M+HCOO]- 295.12994 173.1
[M+CH3COO]- 309.14559 186.4
[M+Na-2H]- 271.10641 161.4
[M]+ 250.13119 153.4
[M]- 250.13229 153.4
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