CID 127293

147795-39-9

Structural Information

Molecular Formula

C₁₂H₁₉NO₄

SMILES

CCCCCC(=O)CC(=O)N[C@H]1CCOC1=O

InChI

InChI=1S/C12H19NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h10H,2-8H2,1H3,(H,13,15)/t10-/m0/s1

InChIKey

FXCMGCFNLNFLSH-JTQLQIEISA-N

Compound name

3-oxo-N-[(3S)-2-oxooxolan-3-yl]octanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 24
References: 475
Patents: 241.13141 Da
Monoisotopic Mass: 1.9
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]+	242.138686	157.3
[M+Na]+	264.120628	161.5
[M-H]-	240.124134	160.5
[M+NH4]+	259.165233	174.6
[M+K]+	280.094568	161.3
[M+H-H2O]+	224.128670	151.1
[M+HCOO]-	286.129611	178.1
[M+CH3COO]-	300.145261	193.9
[M+Na-2H]-	262.106076	157.9
[M]+	241.13086142	158.5
[M]-	241.13195858	158.5

Literature stripe

literature stripe

Patent stripe

patents stripe