CID 10933894

452339-73-0

Structural Information

Molecular Formula
C13H15NO4
SMILES
CC1(OCC2=C(O1)C=CC(=C2)[C@@H]3CNC(=O)O3)C
InChI
InChI=1S/C13H15NO4/c1-13(2)16-7-9-5-8(3-4-10(9)18-13)11-6-14-12(15)17-11/h3-5,11H,6-7H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKey
JUEBDVANOFZMMX-NSHDSACASA-N
Compound name
(5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

249.10011 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.10739 153.9
[M+Na]+ 272.08933 162.0
[M-H]- 248.09283 160.7
[M+NH4]+ 267.13393 169.8
[M+K]+ 288.06327 162.2
[M+H-H2O]+ 232.09737 147.9
[M+HCOO]- 294.09831 168.7
[M+CH3COO]- 308.11396 166.2
[M+Na-2H]- 270.07478 159.6
[M]+ 249.09956 153.7
[M]- 249.10066 153.7
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