CID 2757383

191739-40-9

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₃

SMILES

C1CN(CC(N1)CO)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C13H18N2O3/c16-9-12-8-15(7-6-14-12)13(17)18-10-11-4-2-1-3-5-11/h1-5,12,14,16H,6-10H2

InChIKey

WYLJXEXNZWQHBJ-UHFFFAOYSA-N

Compound name

benzyl 3-(hydroxymethyl)piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 94
Patents: 250.13174 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe