CID 13321082

95104-40-8

Structural Information

Molecular Formula

C₈H₁₁NO₄

SMILES

CCOC(=O)C1=C(ON=C1C)CO

InChI

InChI=1S/C8H11NO4/c1-3-12-8(11)7-5(2)9-13-6(7)4-10/h10H,3-4H2,1-2H3

InChIKey

IEEJBOFPPOHDNU-UHFFFAOYSA-N

Compound name

ethyl 5-(hydroxymethyl)-3-methyl-1,2-oxazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 185.0688 Da
Monoisotopic Mass: 0.1
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]+	186.07608	138.1
[M+Na]+	208.05802	148.4
[M+NH4]+	203.10262	144.1
[M+K]+	224.03196	147.0
[M-H]-	184.06152	138.1
[M+Na-2H]-	206.04347	140.8
[M]+	185.06825	139.2
[M]-	185.06935	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe