CID 6793244

158014-03-0

Structural Information

Molecular Formula

C₅H₅N₂O₃

SMILES

CCOC(=O)C(=C=[N-])N=O

InChI

InChI=1S/C5H5N2O3/c1-2-10-5(8)4(3-6)7-9/h2H2,1H3/q-1

InChIKey

UKUASRULMHWUSG-UHFFFAOYSA-N

Compound name

(3-ethoxy-2-nitroso-3-oxoprop-1-enylidene)azanide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 141.03001 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]+	142.03729	125.9
[M+Na]+	164.01923	133.0
[M-H]-	140.02273	127.6
[M+NH4]+	159.06383	147.3
[M+K]+	179.99317	134.5
[M+H-H2O]+	124.02727	122.6
[M+HCOO]-	186.02821	153.9
[M+CH3COO]-	200.04386	178.5
[M+Na-2H]-	162.00468	131.4
[M]+	141.02946	126.6
[M]-	141.03056	126.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.