CID 3606159

107938-05-6

Structural Information

Molecular Formula

C₄H₈N₄O₃

SMILES

C1CN(CCN1N=O)[N+](=O)[O-]

InChI

InChI=1S/C4H8N4O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H2

InChIKey

AQZDDCOKULIKQF-UHFFFAOYSA-N

Compound name

1-nitro-4-nitrosopiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 160.05965 Da
Monoisotopic Mass: -0.4
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]+	161.06693	127.9
[M+Na]+	183.04887	133.8
[M-H]-	159.05237	130.0
[M+NH4]+	178.09347	145.3
[M+K]+	199.02281	130.6
[M+H-H2O]+	143.05691	125.0
[M+HCOO]-	205.05785	151.3
[M+CH3COO]-	219.07350	173.7
[M+Na-2H]-	181.03432	137.5
[M]+	160.05910	123.7
[M]-	160.06020	123.7

Literature stripe

literature stripe

Patent stripe

patents stripe