CID 57948858

2120773-66-0

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

CCOC(=O)C1=NOC(=C1C)C2CC2

InChI

InChI=1S/C10H13NO3/c1-3-13-10(12)8-6(2)9(14-11-8)7-4-5-7/h7H,3-5H2,1-2H3

InChIKey

ZAHALPBHUXXMIY-UHFFFAOYSA-N

Compound name

ethyl 5-cyclopropyl-4-methyl-1,2-oxazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 195.08954 Da
Monoisotopic Mass: 1.9
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]+	196.09682	142.9
[M+Na]+	218.07876	153.6
[M-H]-	194.08226	150.3
[M+NH4]+	213.12336	157.0
[M+K]+	234.05270	152.1
[M+H-H2O]+	178.08680	136.2
[M+HCOO]-	240.08774	165.5
[M+CH3COO]-	254.10339	186.4
[M+Na-2H]-	216.06421	146.8
[M]+	195.08899	149.6
[M]-	195.09009	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe