CID 6484100

3-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid

Structural Information

Molecular Formula
C12H11NO4
SMILES
CC1=C(C(=NO1)C2=CC=CC=C2OC)C(=O)O
InChI
InChI=1S/C12H11NO4/c1-7-10(12(14)15)11(13-17-7)8-5-3-4-6-9(8)16-2/h3-6H,1-2H3,(H,14,15)
InChIKey
KOQSJBSGCNLIJY-UHFFFAOYSA-N
Compound name
3-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

233.0688 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07608 148.0
[M+Na]+ 256.05802 157.5
[M-H]- 232.06152 153.8
[M+NH4]+ 251.10262 164.5
[M+K]+ 272.03196 156.4
[M+H-H2O]+ 216.06606 141.2
[M+HCOO]- 278.06700 170.2
[M+CH3COO]- 292.08265 187.8
[M+Na-2H]- 254.04347 151.8
[M]+ 233.06825 152.0
[M]- 233.06935 152.0
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

patents stripe