CID 2745138

90924-54-2

Structural Information

Molecular Formula

C₁₀H₉NO₃S

SMILES

CCOC(=O)C1=NOC(=C1)C2=CC=CS2

InChI

InChI=1S/C10H9NO3S/c1-2-13-10(12)7-6-8(14-11-7)9-4-3-5-15-9/h3-6H,2H2,1H3

InChIKey

YPIUQIUZEYMWAX-UHFFFAOYSA-N

Compound name

ethyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 223.03032 Da
Monoisotopic Mass: 2.3
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]+	224.03760	146.7
[M+Na]+	246.01954	158.6
[M+NH4]+	241.06414	154.7
[M+K]+	261.99348	155.1
[M-H]-	222.02304	150.0
[M+Na-2H]-	244.00499	152.5
[M]+	223.02977	149.7
[M]-	223.03087	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe