CID 2756349

361979-30-8

Structural Information

Molecular Formula

C₁₃H₁₉N₃O

SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CN

InChI

InChI=1S/C13H19N3O/c14-10-13(17)16-8-6-15(7-9-16)11-12-4-2-1-3-5-12/h1-5H,6-11,14H2

InChIKey

RNZBQIXOMXJVRG-UHFFFAOYSA-N

Compound name

2-amino-1-(4-benzylpiperazin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 233.15282 Da
Monoisotopic Mass: 0.1
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]+	234.16010	155.7
[M+Na]+	256.14204	159.7
[M-H]-	232.14554	158.0
[M+NH4]+	251.18664	169.7
[M+K]+	272.11598	156.3
[M+H-H2O]+	216.15008	146.4
[M+HCOO]-	278.15102	173.2
[M+CH3COO]-	292.16667	192.1
[M+Na-2H]-	254.12749	158.8
[M]+	233.15227	149.8
[M]-	233.15337	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe