CID 4338381

1,3-dinitroso-1,3-diazinane

Structural Information

Molecular Formula

C₄H₈N₄O₂

SMILES

C1CN(CN(C1)N=O)N=O

InChI

InChI=1S/C4H8N4O2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H2

InChIKey

JSPJZBZNGPDBLH-UHFFFAOYSA-N

Compound name

1,3-dinitroso-1,3-diazinane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 144.06473 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]+	145.072006	125.2
[M+Na]+	167.053948	132.1
[M-H]-	143.057454	128.5
[M+NH4]+	162.098553	144.4
[M+K]+	183.027888	133.4
[M+H-H2O]+	127.061990	117.2
[M+HCOO]-	189.062931	150.3
[M+CH3COO]-	203.078581	181.2
[M+Na-2H]-	165.039396	134.1
[M]+	144.06418142	124.1
[M]-	144.06527858	124.1

Literature stripe

literature stripe

Patent stripe

patents stripe