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]+ 234.07608 148.3
[M+Na]+ 256.05802 156.9
[M-H]- 232.06152 153.7
[M+NH4]+ 251.10262 164.5
[M+K]+ 272.03196 155.7
[M+H-H2O]+ 216.06606 141.2
[M+HCOO]- 278.06700 170.5
[M+CH3COO]- 292.08265 186.6
[M+Na-2H]- 254.04347 152.7
[M]+ 233.06825 151.9
[M]- 233.06935 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.