CID 165981586

2-(4-nitrosopiperazin-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one

Structural Information

Molecular Formula

C₁₀H₁₈N₄O₂

SMILES

C1CCN(C1)C(=O)CN2CCN(CC2)N=O

InChI

InChI=1S/C10H18N4O2/c15-10(13-3-1-2-4-13)9-12-5-7-14(11-16)8-6-12/h1-9H2

InChIKey

TWEXLYXLHGSYJU-UHFFFAOYSA-N

Compound name

2-(4-nitrosopiperazin-1-yl)-1-pyrrolidin-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 226.14297 Da
Monoisotopic Mass: 0.0
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]+	227.150246	152.3
[M+Na]+	249.132188	156.0
[M-H]-	225.135694	154.9
[M+NH4]+	244.176793	167.6
[M+K]+	265.106128	155.2
[M+H-H2O]+	209.140230	142.4
[M+HCOO]-	271.141171	169.8
[M+CH3COO]-	285.156821	191.2
[M+Na-2H]-	247.117636	153.8
[M]+	226.14242142	147.3
[M]-	226.14351858	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.