CID 27826

1-methyl-4-nitrosopiperazine

Structural Information

Molecular Formula

C₅H₁₁N₃O

SMILES

CN1CCN(CC1)N=O

InChI

InChI=1S/C5H11N3O/c1-7-2-4-8(6-9)5-3-7/h2-5H2,1H3

InChIKey

CEAIOKFZXJMDAS-UHFFFAOYSA-N

Compound name

1-methyl-4-nitrosopiperazine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 46
Patents: 129.09021 Da
Monoisotopic Mass: 0.2
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]+	130.09749	125.5
[M+Na]+	152.07943	132.3
[M-H]-	128.08293	127.4
[M+NH4]+	147.12403	145.2
[M+K]+	168.05337	132.7
[M+H-H2O]+	112.08747	118.2
[M+HCOO]-	174.08841	147.4
[M+CH3COO]-	188.10406	175.4
[M+Na-2H]-	150.06488	133.0
[M]+	129.08966	123.0
[M]-	129.09076	123.0

Literature stripe

literature stripe

Patent stripe

patents stripe