CID 3020360

85117-74-4

Structural Information

Molecular Formula
C15H21NO5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCC2CN(C(=O)O2)C(C)(C)C
InChI
InChI=1S/C15H21NO5S/c1-11-5-7-13(8-6-11)22(18,19)20-10-12-9-16(14(17)21-12)15(2,3)4/h5-8,12H,9-10H2,1-4H3
InChIKey
AMLLKTNBWNUPMG-UHFFFAOYSA-N
Compound name
(3-tert-butyl-2-oxo-1,3-oxazolidin-5-yl)methyl 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.11404 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.121316 174.2
[M+Na]+ 350.103258 182.3
[M-H]- 326.106764 180.8
[M+NH4]+ 345.147863 188.4
[M+K]+ 366.077198 181.0
[M+H-H2O]+ 310.111300 168.4
[M+HCOO]- 372.112241 187.7
[M+CH3COO]- 386.127891 203.8
[M+Na-2H]- 348.088706 176.0
[M]+ 327.11349142 180.2
[M]- 327.11458858 180.2
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

No patent data available for this compound.