CID 2758854

200400-76-6

Structural Information

Molecular Formula
C12H11NO4
SMILES
CCOC(=O)C1=COC(=N1)C2=CC=C(C=C2)O
InChI
InChI=1S/C12H11NO4/c1-2-16-12(15)10-7-17-11(13-10)8-3-5-9(14)6-4-8/h3-7,14H,2H2,1H3
InChIKey
XILWQVZWGWQRNU-UHFFFAOYSA-N
Compound name
ethyl 2-(4-hydroxyphenyl)-1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

233.0688 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.076076 148.5
[M+Na]+ 256.058018 157.2
[M-H]- 232.061524 154.0
[M+NH4]+ 251.102623 164.9
[M+K]+ 272.031958 156.1
[M+H-H2O]+ 216.066060 141.5
[M+HCOO]- 278.067001 170.8
[M+CH3COO]- 292.082651 185.9
[M+Na-2H]- 254.043466 153.0
[M]+ 233.06825142 152.1
[M]- 233.06934858 152.1
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

patents stripe