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

87
Patents

207.05316 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06044 140.9
[M+Na]+ 230.04238 148.6
[M-H]- 206.04588 145.9
[M+NH4]+ 225.08698 157.9
[M+K]+ 246.01632 147.7
[M+H-H2O]+ 190.05042 134.4
[M+HCOO]- 252.05136 161.0
[M+CH3COO]- 266.06701 180.5
[M+Na-2H]- 228.02783 144.5
[M]+ 207.05261 140.3
[M]- 207.05371 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