CID 49976

67792-85-2

Structural Information

Molecular Formula

C₅H₉N₃O₄

SMILES

CCOC(=O)CN(C(=O)N)N=O

InChI

InChI=1S/C5H9N3O4/c1-2-12-4(9)3-8(7-11)5(6)10/h2-3H2,1H3,(H2,6,10)

InChIKey

RFAPTJJTVLWLJY-UHFFFAOYSA-N

Compound name

ethyl 2-[carbamoyl(nitroso)amino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 175.05931 Da
Monoisotopic Mass: -0.3
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]+	176.06659	135.8
[M+Na]+	198.04853	141.6
[M+NH4]+	193.09313	140.7
[M+K]+	214.02247	140.0
[M-H]-	174.05203	134.4
[M+Na-2H]-	196.03398	137.5
[M]+	175.05876	135.4
[M]-	175.05986	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.