CID 107251

2-ethylhexyl 5-oxo-l-prolinate

Structural Information

Molecular Formula

C₁₃H₂₃NO₃

SMILES

CCCCC(CC)COC(=O)[C@@H]1CCC(=O)N1

InChI

InChI=1S/C13H23NO3/c1-3-5-6-10(4-2)9-17-13(16)11-7-8-12(15)14-11/h10-11H,3-9H2,1-2H3,(H,14,15)/t10?,11-/m0/s1

InChIKey

YEMWTVRIHVDMPF-DTIOYNMSSA-N

Compound name

2-ethylhexyl (2S)-5-oxopyrrolidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 94
Patents: 241.1678 Da
Monoisotopic Mass: 2.7
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]+	242.175076	160.5
[M+Na]+	264.157018	164.5
[M-H]-	240.160524	160.2
[M+NH4]+	259.201623	177.6
[M+K]+	280.130958	162.6
[M+H-H2O]+	224.165060	153.9
[M+HCOO]-	286.166001	177.8
[M+CH3COO]-	300.181651	190.7
[M+Na-2H]-	262.142466	158.7
[M]+	241.16725142	160.2
[M]-	241.16834858	160.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe