CID 28808519

1018584-61-6

Structural Information

Molecular Formula
C12H11NO4
SMILES
COC1=CC=CC(=C1)C2=CC(=NO2)CC(=O)O
InChI
InChI=1S/C12H11NO4/c1-16-10-4-2-3-8(5-10)11-6-9(13-17-11)7-12(14)15/h2-6H,7H2,1H3,(H,14,15)
InChIKey
ZWHRIAJIMNCEDQ-UHFFFAOYSA-N
Compound name
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.0688 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.076076 148.3
[M+Na]+ 256.058018 156.9
[M-H]- 232.061524 153.7
[M+NH4]+ 251.102623 164.5
[M+K]+ 272.031958 155.7
[M+H-H2O]+ 216.066060 141.2
[M+HCOO]- 278.067001 170.5
[M+CH3COO]- 292.082651 186.6
[M+Na-2H]- 254.043466 152.7
[M]+ 233.06825142 151.9
[M]- 233.06934858 151.9
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.