CID 21126175

Noname_288

Structural Information

Molecular Formula

C₅H₁₁N₃O₄

SMILES

C(CONC(=O)N)C(C(=O)O)N

InChI

InChI=1S/C5H11N3O4/c6-3(4(9)10)1-2-12-8-5(7)11/h3H,1-2,6H2,(H,9,10)(H3,7,8,11)

InChIKey

SFYVZOSIAIZWQU-UHFFFAOYSA-N

Compound name

2-amino-4-(carbamoylamino)oxybutanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 24
Patents: 177.07495 Da
Monoisotopic Mass: -4.2
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]+	178.08223	136.1
[M+Na]+	200.06417	140.4
[M-H]-	176.06767	134.0
[M+NH4]+	195.10877	153.4
[M+K]+	216.03811	141.0
[M+H-H2O]+	160.07221	129.8
[M+HCOO]-	222.07315	158.7
[M+CH3COO]-	236.08880	184.2
[M+Na-2H]-	198.04962	137.8
[M]+	177.07440	132.7
[M]-	177.07550	132.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.