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]+ 248.091736 153.0
[M+Na]+ 270.073678 161.1
[M-H]- 246.077184 158.2
[M+NH4]+ 265.118283 168.6
[M+K]+ 286.047618 159.8
[M+H-H2O]+ 230.081720 145.7
[M+HCOO]- 292.082661 174.8
[M+CH3COO]- 306.098311 189.6
[M+Na-2H]- 268.059126 156.9
[M]+ 247.08391142 157.0
[M]- 247.08500858 157.0
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.