CID 18646218

73422-72-7

Structural Information

Molecular Formula
C10H11NO4
SMILES
C1[C@@H](OC(=O)N1C2=CC=C(C=C2)O)CO
InChI
InChI=1S/C10H11NO4/c12-6-9-5-11(10(14)15-9)7-1-3-8(13)4-2-7/h1-4,9,12-13H,5-6H2/t9-/m1/s1
InChIKey
WVULNOZIAYBGLE-SECBINFHSA-N
Compound name
(5R)-5-(hydroxymethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

209.0688 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.076076 142.3
[M+Na]+ 232.058018 150.5
[M-H]- 208.061524 146.1
[M+NH4]+ 227.102623 159.0
[M+K]+ 248.031958 148.7
[M+H-H2O]+ 192.066060 136.0
[M+HCOO]- 254.067001 161.7
[M+CH3COO]- 268.082651 179.2
[M+Na-2H]- 230.043466 145.9
[M]+ 209.06825142 141.5
[M]- 209.06934858 141.5
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