CID 54846926

1226185-75-6

Structural Information

Molecular Formula
C12H11NO4
SMILES
CC1=C(ON=C1C(=O)O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C12H11NO4/c1-7-10(12(14)15)13-17-11(7)8-3-5-9(16-2)6-4-8/h3-6H,1-2H3,(H,14,15)
InChIKey
YAWVTDJJBKSDTD-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)-4-methyl-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

233.0688 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07608 149.3
[M+Na]+ 256.05802 162.1
[M+NH4]+ 251.10262 156.0
[M+K]+ 272.03196 159.6
[M-H]- 232.06152 152.2
[M+Na-2H]- 254.04347 155.1
[M]+ 233.06825 151.8
[M]- 233.06935 151.8
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

patents stripe