CID 107610

4931-70-8

Structural Information

Molecular Formula

C₁₃H₂₃NO₃

SMILES

CCCCCCCCOC(=O)[C@@H]1CCC(=O)N1

InChI

InChI=1S/C13H23NO3/c1-2-3-4-5-6-7-10-17-13(16)11-8-9-12(15)14-11/h11H,2-10H2,1H3,(H,14,15)/t11-/m0/s1

InChIKey

SXDPDVGGPOQXTM-NSHDSACASA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 143
Patents: 241.1678 Da
Monoisotopic Mass: 3.0
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	160.2
[M+Na]+	264.157018	164.4
[M-H]-	240.160524	159.7
[M+NH4]+	259.201623	177.3
[M+K]+	280.130958	162.0
[M+H-H2O]+	224.165060	153.3
[M+HCOO]-	286.166001	178.4
[M+CH3COO]-	300.181651	189.8
[M+Na-2H]-	262.142466	159.5
[M]+	241.16725142	160.5
[M]-	241.16834858	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe