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 157.4
[M+Na]+ 284.08932 166.1
[M-H]- 260.09282 162.9
[M+NH4]+ 279.13392 172.8
[M+K]+ 300.06326 164.5
[M+H-H2O]+ 244.09736 150.3
[M+HCOO]- 306.09830 178.9
[M+CH3COO]- 320.11395 193.8
[M+Na-2H]- 282.07477 160.1
[M]+ 261.09955 162.2
[M]- 261.10065 162.2
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.