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]+ 262.107376 157.4
[M+Na]+ 284.089318 166.1
[M-H]- 260.092824 162.9
[M+NH4]+ 279.133923 172.8
[M+K]+ 300.063258 164.5
[M+H-H2O]+ 244.097360 150.3
[M+HCOO]- 306.098301 178.9
[M+CH3COO]- 320.113951 193.8
[M+Na-2H]- 282.074766 160.1
[M]+ 261.09955142 162.2
[M]- 261.10064858 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.