CID 206121

42902-35-2

Structural Information

Molecular Formula
C10H11NO4
SMILES
C1C(OC(=O)N1C2=CC(=CC=C2)O)CO
InChI
InChI=1S/C10H11NO4/c12-6-9-5-11(10(14)15-9)7-2-1-3-8(13)4-7/h1-4,9,12-13H,5-6H2
InChIKey
AVUYUWXNGHVSBO-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-3-(3-hydroxyphenyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

209.0688 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 142.3
[M+Na]+ 232.05802 150.5
[M-H]- 208.06152 146.1
[M+NH4]+ 227.10262 159.0
[M+K]+ 248.03196 148.7
[M+H-H2O]+ 192.06606 136.0
[M+HCOO]- 254.06700 161.7
[M+CH3COO]- 268.08265 179.2
[M+Na-2H]- 230.04347 145.9
[M]+ 209.06825 141.5
[M]- 209.06935 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