CID 28740443

4-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid

Structural Information

Molecular Formula
C10H9NO4
SMILES
C1COC(=O)N1C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C10H9NO4/c12-9(13)7-1-3-8(4-2-7)11-5-6-15-10(11)14/h1-4H,5-6H2,(H,12,13)
InChIKey
WGADDASEFFKJAJ-UHFFFAOYSA-N
Compound name
4-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

207.05316 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.060436 140.9
[M+Na]+ 230.042378 148.6
[M-H]- 206.045884 145.9
[M+NH4]+ 225.086983 157.9
[M+K]+ 246.016318 147.7
[M+H-H2O]+ 190.050420 134.4
[M+HCOO]- 252.051361 161.0
[M+CH3COO]- 266.067011 180.5
[M+Na-2H]- 228.027826 144.5
[M]+ 207.05261142 140.3
[M]- 207.05370858 140.3
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