CID 6914579

N-(2-oxotetrahydrofuran-3-yl)octanamide

Structural Information

Molecular Formula

C₁₂H₂₁NO₃

SMILES

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

InChI

InChI=1S/C12H21NO3/c1-2-3-4-5-6-7-11(14)13-10-8-9-16-12(10)15/h10H,2-9H2,1H3,(H,13,14)/t10-/m0/s1

InChIKey

JKEJEOJPJVRHMQ-JTQLQIEISA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 595
References: 401
Patents: 227.15215 Da
Monoisotopic Mass: 2.6
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]+	228.15943	155.5
[M+Na]+	250.14137	159.7
[M-H]-	226.14487	158.6
[M+NH4]+	245.18597	173.6
[M+K]+	266.11531	159.2
[M+H-H2O]+	210.14941	149.3
[M+HCOO]-	272.15035	176.9
[M+CH3COO]-	286.16600	191.7
[M+Na-2H]-	248.12682	157.2
[M]+	227.15160	156.6
[M]-	227.15270	156.6

Literature stripe

literature stripe

Patent stripe

patents stripe