CID 236235

43109-88-2

Structural Information

Molecular Formula

C₄H₃N₃O₄

SMILES

C1(C(=O)NC(=O)NC1=O)N=O

InChI

InChI=1S/C4H3N3O4/c8-2-1(7-11)3(9)6-4(10)5-2/h1H,(H2,5,6,8,9,10)

InChIKey

YQLSDDPJHQTGEW-UHFFFAOYSA-N

Compound name

5-nitroso-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 157.01236 Da
Monoisotopic Mass: -1.5
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]+	158.01964	126.4
[M+Na]+	180.00158	135.3
[M-H]-	156.00508	126.4
[M+NH4]+	175.04618	143.6
[M+K]+	195.97552	133.6
[M+H-H2O]+	140.00962	120.0
[M+HCOO]-	202.01056	146.7
[M+CH3COO]-	216.02621	173.7
[M+Na-2H]-	177.98703	132.1
[M]+	157.01181	122.7
[M]-	157.01291	122.7

Literature stripe

literature stripe

Patent stripe

patents stripe