CID 141165980

2121487-15-6

Structural Information

Molecular Formula
C12H11NO3
SMILES
CCOC(=O)C1=NC(=CO1)C2=CC=CC=C2
InChI
InChI=1S/C12H11NO3/c1-2-15-12(14)11-13-10(8-16-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKey
OWYOKMASZJAXFG-UHFFFAOYSA-N
Compound name
ethyl 4-phenyl-1,3-oxazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.0739 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.081176 145.4
[M+Na]+ 240.063118 153.8
[M-H]- 216.066624 151.9
[M+NH4]+ 235.107723 162.9
[M+K]+ 256.037058 153.0
[M+H-H2O]+ 200.071160 138.1
[M+HCOO]- 262.072101 169.0
[M+CH3COO]- 276.087751 185.1
[M+Na-2H]- 238.048566 150.9
[M]+ 217.07335142 149.0
[M]- 217.07444858 149.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.