CID 4461118

(n-hydroxycarbamimidoyl)-acetic acid ethyl ester

Structural Information

Molecular Formula

C₅H₁₀N₂O₃

SMILES

CCOC(=O)CC(=NO)N

InChI

InChI=1S/C5H10N2O3/c1-2-10-5(8)3-4(6)7-9/h9H,2-3H2,1H3,(H2,6,7)

InChIKey

WJDYAEIVFPVODA-UHFFFAOYSA-N

Compound name

ethyl 3-amino-3-hydroxyiminopropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 146.06914 Da
Monoisotopic Mass: -0.2
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]+	147.07642	129.7
[M+Na]+	169.05836	135.8
[M-H]-	145.06186	129.7
[M+NH4]+	164.10296	150.1
[M+K]+	185.03230	136.5
[M+H-H2O]+	129.06640	124.2
[M+HCOO]-	191.06734	154.4
[M+CH3COO]-	205.08299	177.8
[M+Na-2H]-	167.04381	134.0
[M]+	146.06859	129.3
[M]-	146.06969	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe