CID 22318449

Ethyl 4-oxopyrrolidine-3-carboxylate hydrochloride

Structural Information

Molecular Formula

C₇H₁₁NO₃

SMILES

CCOC(=O)C1CNCC1=O

InChI

InChI=1S/C7H11NO3/c1-2-11-7(10)5-3-8-4-6(5)9/h5,8H,2-4H2,1H3

InChIKey

QXAZQNAFKUKXOL-UHFFFAOYSA-N

Compound name

ethyl 4-oxopyrrolidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 157.0739 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]+	158.08118	134.1
[M+Na]+	180.06312	142.5
[M+NH4]+	175.10772	140.6
[M+K]+	196.03706	140.4
[M-H]-	156.06662	132.6
[M+Na-2H]-	178.04857	136.2
[M]+	157.07335	134.3
[M]-	157.07445	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe