CID 10442410

N-pentanoyl-l-homoserine lactone

Structural Information

Molecular Formula

C₉H₁₅NO₃

SMILES

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

InChI

InChI=1S/C9H15NO3/c1-2-3-4-8(11)10-7-5-6-13-9(7)12/h7H,2-6H2,1H3,(H,10,11)/t7-/m0/s1

InChIKey

BFIMURGDHGARTN-ZETCQYMHSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 17
Patents: 185.1052 Da
Monoisotopic Mass: 1.0
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]+	186.11248	141.5
[M+Na]+	208.09442	147.0
[M-H]-	184.09792	145.2
[M+NH4]+	203.13902	161.3
[M+K]+	224.06836	147.2
[M+H-H2O]+	168.10246	135.9
[M+HCOO]-	230.10340	163.9
[M+CH3COO]-	244.11905	182.6
[M+Na-2H]-	206.07987	144.8
[M]+	185.10465	141.5
[M]-	185.10575	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe