CID 3062296

Benzeneacetic acid, 4-(5-ethoxy-4-methyl-2-oxazolyl)-

Structural Information

Molecular Formula
C14H15NO4
SMILES
CCOC1=C(N=C(O1)C2=CC=C(C=C2)CC(=O)O)C
InChI
InChI=1S/C14H15NO4/c1-3-18-14-9(2)15-13(19-14)11-6-4-10(5-7-11)8-12(16)17/h4-7H,3,8H2,1-2H3,(H,16,17)
InChIKey
BKJUXCPOEQCXDH-UHFFFAOYSA-N
Compound name
2-[4-(5-ethoxy-4-methyl-1,3-oxazol-2-yl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1001 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10738 158.4
[M+Na]+ 284.08932 170.8
[M+NH4]+ 279.13392 164.7
[M+K]+ 300.06326 167.8
[M-H]- 260.09282 161.2
[M+Na-2H]- 282.07477 163.6
[M]+ 261.09955 160.8
[M]- 261.10065 160.8
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.