CID 12214102

32968-45-9

Structural Information

Molecular Formula

C₈H₁₁NO₃

SMILES

CCC1=C(N=CO1)C(=O)OCC

InChI

InChI=1S/C8H11NO3/c1-3-6-7(9-5-12-6)8(10)11-4-2/h5H,3-4H2,1-2H3

InChIKey

GBYIDBVZBQLCLF-UHFFFAOYSA-N

Compound name

ethyl 5-ethyl-1,3-oxazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 169.0739 Da
Monoisotopic Mass: 1.7
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]+	170.08118	133.8
[M+Na]+	192.06312	142.6
[M-H]-	168.06662	137.1
[M+NH4]+	187.10772	153.7
[M+K]+	208.03706	143.4
[M+H-H2O]+	152.07116	127.9
[M+HCOO]-	214.07210	157.1
[M+CH3COO]-	228.08775	177.4
[M+Na-2H]-	190.04857	139.2
[M]+	169.07335	138.5
[M]-	169.07445	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe