CID 12365604

62613-81-4

Structural Information

Molecular Formula

C₈H₁₃NO₄

SMILES

CCOC(=O)CN1CC(CC1=O)O

InChI

InChI=1S/C8H13NO4/c1-2-13-8(12)5-9-4-6(10)3-7(9)11/h6,10H,2-5H2,1H3

InChIKey

YDBONCLBTWFUPF-UHFFFAOYSA-N

Compound name

ethyl 2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 187.08446 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]+	188.091736	139.1
[M+Na]+	210.073678	146.3
[M-H]-	186.077184	139.9
[M+NH4]+	205.118283	158.7
[M+K]+	226.047618	145.6
[M+H-H2O]+	170.081720	133.4
[M+HCOO]-	232.082661	159.2
[M+CH3COO]-	246.098311	178.1
[M+Na-2H]-	208.059126	140.6
[M]+	187.08391142	139.5
[M]-	187.08500858	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe