CID 162535

42902-32-9

Structural Information

Molecular Formula
C11H13NO4
SMILES
COC1=CC=C(C=C1)N2CC(OC2=O)CO
InChI
InChI=1S/C11H13NO4/c1-15-9-4-2-8(3-5-9)12-6-10(7-13)16-11(12)14/h2-5,10,13H,6-7H2,1H3
InChIKey
WPBGOVOZPRMHNE-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

25
Patents

223.08446 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09174 147.7
[M+Na]+ 246.07368 159.3
[M+NH4]+ 241.11828 154.6
[M+K]+ 262.04762 156.5
[M-H]- 222.07718 150.4
[M+Na-2H]- 244.05913 152.3
[M]+ 223.08391 149.9
[M]- 223.08501 149.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe