CID 45095227

644972-61-2

Structural Information

Molecular Formula

C₇H₁₂N₄O₄

SMILES

CCN1C(=O)NC(=O)C1(C(=O)N)NOC

InChI

InChI=1S/C7H12N4O4/c1-3-11-6(14)9-5(13)7(11,4(8)12)10-15-2/h10H,3H2,1-2H3,(H2,8,12)(H,9,13,14)

InChIKey

CTDZGEFRMQIFFW-UHFFFAOYSA-N

Compound name

3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 216.08586 Da
Monoisotopic Mass: -1.3
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]+	217.093136	142.2
[M+Na]+	239.075078	149.9
[M-H]-	215.078584	141.9
[M+NH4]+	234.119683	160.3
[M+K]+	255.049018	148.8
[M+H-H2O]+	199.083120	136.4
[M+HCOO]-	261.084061	162.9
[M+CH3COO]-	275.099711	188.4
[M+Na-2H]-	237.060526	145.0
[M]+	216.08531142	140.3
[M]-	216.08640858	140.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.