CID 3062295

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

Structural Information

Molecular Formula
C13H13NO4
SMILES
CCOC1=CN=C(O1)C2=CC=C(C=C2)CC(=O)O
InChI
InChI=1S/C13H13NO4/c1-2-17-12-8-14-13(18-12)10-5-3-9(4-6-10)7-11(15)16/h3-6,8H,2,7H2,1H3,(H,15,16)
InChIKey
BDCKBJJYDVLYCH-UHFFFAOYSA-N
Compound name
2-[4-(5-ethoxy-1,3-oxazol-2-yl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.08446 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.09174 154.1
[M+Na]+ 270.07368 166.3
[M+NH4]+ 265.11828 160.6
[M+K]+ 286.04762 163.3
[M-H]- 246.07718 156.8
[M+Na-2H]- 268.05913 159.8
[M]+ 247.08391 156.4
[M]- 247.08501 156.4
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.