CID 13514194

92174-75-9

Structural Information

Molecular Formula

SMILES

CCN1C=COC1=O

InChI

InChI=1S/C5H7NO2/c1-2-6-3-4-8-5(6)7/h3-4H,2H2,1H3

InChIKey

CUFFUTUEAZMSKZ-UHFFFAOYSA-N

Compound name

3-ethyl-1,3-oxazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 113.047676 Da
Monoisotopic Mass: 0.3
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]+	114.05495	116.3
[M+Na]+	136.03689	126.6
[M-H]-	112.04040	119.9
[M+NH4]+	131.08150	138.5
[M+K]+	152.01083	127.2
[M+H-H2O]+	96.044936	111.0
[M+HCOO]-	158.04588	141.3
[M+CH3COO]-	172.06153	166.2
[M+Na-2H]-	134.02234	124.6
[M]+	113.04713	119.1
[M]-	113.04822	119.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe