CID 73509

Homoserine lactone

Structural Information

Molecular Formula

SMILES

C1COC(=O)C1N

InChI

InChI=1S/C4H7NO2/c5-3-1-2-7-4(3)6/h3H,1-2,5H2

InChIKey

QJPWUUJVYOJNMH-UHFFFAOYSA-N

Compound name

3-aminooxolan-2-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 800
References: 4533
Patents: 101.047676 Da
Monoisotopic Mass: -0.6
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]+	102.05495	116.0
[M+Na]+	124.03689	123.7
[M-H]-	100.04040	119.9
[M+NH4]+	119.08150	139.1
[M+K]+	140.01083	124.4
[M+H-H2O]+	84.044936	111.4
[M+HCOO]-	146.04588	140.0
[M+CH3COO]-	160.06153	165.3
[M+Na-2H]-	122.02234	122.2
[M]+	101.04713	113.2
[M]-	101.04822	113.2

Literature stripe

literature stripe

Patent stripe

patents stripe