CID 218466

1-benzyl-4-nitrosopiperazine

Structural Information

Molecular Formula

C₁₁H₁₅N₃O

SMILES

C1CN(CCN1CC2=CC=CC=C2)N=O

InChI

InChI=1S/C11H15N3O/c15-12-14-8-6-13(7-9-14)10-11-4-2-1-3-5-11/h1-5H,6-10H2

InChIKey

PZNHQMMDZKTYDZ-UHFFFAOYSA-N

Compound name

1-benzyl-4-nitrosopiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 205.1215 Da
Monoisotopic Mass: 1.7
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]+	206.12878	146.4
[M+Na]+	228.11072	158.9
[M+NH4]+	223.15532	154.7
[M+K]+	244.08466	151.7
[M-H]-	204.11422	150.3
[M+Na-2H]-	226.09617	154.7
[M]+	205.12095	149.1
[M]-	205.12205	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe