CID 10606858

157001-86-0

Structural Information

Molecular Formula

C₅H₈N₂O₃

SMILES

COC(=O)[C@@H]1CNC(=O)N1

InChI

InChI=1S/C5H8N2O3/c1-10-4(8)3-2-6-5(9)7-3/h3H,2H2,1H3,(H2,6,7,9)/t3-/m0/s1

InChIKey

DYARMGVFGYGGSF-VKHMYHEASA-N

Compound name

methyl (4S)-2-oxoimidazolidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 33
Patents: 144.0535 Da
Monoisotopic Mass: -0.9
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]+	145.06078	128.9
[M+Na]+	167.04272	136.1
[M-H]-	143.04622	127.0
[M+NH4]+	162.08732	147.9
[M+K]+	183.01666	134.8
[M+H-H2O]+	127.05076	122.8
[M+HCOO]-	189.05170	147.0
[M+CH3COO]-	203.06735	165.9
[M+Na-2H]-	165.02817	131.8
[M]+	144.05295	124.9
[M]-	144.05405	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe