CID 53399657

Ethyl 2-cyclobutyl-4-oxazolecarboxylate

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

CCOC(=O)C1=COC(=N1)C2CCC2

InChI

InChI=1S/C10H13NO3/c1-2-13-10(12)8-6-14-9(11-8)7-4-3-5-7/h6-7H,2-5H2,1H3

InChIKey

DVTBGTTXQPVITL-UHFFFAOYSA-N

Compound name

ethyl 2-cyclobutyl-1,3-oxazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 195.08954 Da
Monoisotopic Mass: 2.0
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]+	196.096816	135.7
[M+Na]+	218.078758	141.4
[M-H]-	194.082264	141.6
[M+NH4]+	213.123363	147.7
[M+K]+	234.052698	144.9
[M+H-H2O]+	178.086800	124.3
[M+HCOO]-	240.087741	156.5
[M+CH3COO]-	254.103391	185.0
[M+Na-2H]-	216.064206	139.9
[M]+	195.08899142	146.7
[M]-	195.09008858	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.