CID 34521

Toloxatone

Structural Information

Molecular Formula
C11H13NO3
SMILES
CC1=CC(=CC=C1)N2CC(OC2=O)CO
InChI
InChI=1S/C11H13NO3/c1-8-3-2-4-9(5-8)12-6-10(7-13)15-11(12)14/h2-5,10,13H,6-7H2,1H3
InChIKey
MXUNKHLAEDCYJL-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

73
References

6377
Patents

207.08954 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 144.6
[M+Na]+ 230.07876 156.7
[M+NH4]+ 225.12336 152.1
[M+K]+ 246.05270 153.3
[M-H]- 206.08226 147.8
[M+Na-2H]- 228.06421 149.7
[M]+ 207.08899 147.1
[M]- 207.09009 147.1
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