CID 4185054

73742-56-0

Structural Information

Molecular Formula

C₆H₁₁N₃O₂

SMILES

CC(=O)N1CCN(CC1)N=O

InChI

InChI=1S/C6H11N3O2/c1-6(10)8-2-4-9(7-11)5-3-8/h2-5H2,1H3

InChIKey

CUABIQWKHMEWSM-UHFFFAOYSA-N

Compound name

1-(4-nitrosopiperazin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 157.08513 Da
Monoisotopic Mass: -0.5
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]+	158.09241	131.9
[M+Na]+	180.07435	138.4
[M-H]-	156.07785	133.8
[M+NH4]+	175.11895	150.4
[M+K]+	196.04829	138.8
[M+H-H2O]+	140.08239	124.4
[M+HCOO]-	202.08333	152.9
[M+CH3COO]-	216.09898	179.8
[M+Na-2H]-	178.05980	137.7
[M]+	157.08458	129.8
[M]-	157.08568	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.