CID 109094

61516-73-2

Structural Information

Molecular Formula

C₈H₁₃NO₃

SMILES

CCOC(=O)CN1CCCC1=O

InChI

InChI=1S/C8H13NO3/c1-2-12-8(11)6-9-5-3-4-7(9)10/h2-6H2,1H3

InChIKey

AQZWKPDVWWJWRY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 86
Patents: 171.08954 Da
Monoisotopic Mass: 0.1
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]+	172.096816	136.5
[M+Na]+	194.078758	143.3
[M-H]-	170.082264	138.3
[M+NH4]+	189.123363	157.2
[M+K]+	210.052698	143.1
[M+H-H2O]+	154.086800	130.4
[M+HCOO]-	216.087741	157.9
[M+CH3COO]-	230.103391	177.4
[M+Na-2H]-	192.064206	139.0
[M]+	171.08899142	136.9
[M]-	171.09008858	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe