CID 557631

83277-31-0

Structural Information

Molecular Formula
C14H19NO5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCC2CN(C(=O)O2)C(C)C
InChI
InChI=1S/C14H19NO5S/c1-10(2)15-8-12(20-14(15)16)9-19-21(17,18)13-6-4-11(3)5-7-13/h4-7,10,12H,8-9H2,1-3H3
InChIKey
VSBCXARDKFKTHY-UHFFFAOYSA-N
Compound name
(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

313.0984 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.105676 169.4
[M+Na]+ 336.087618 177.3
[M-H]- 312.091124 176.0
[M+NH4]+ 331.132223 183.9
[M+K]+ 352.061558 176.1
[M+H-H2O]+ 296.095660 163.2
[M+HCOO]- 358.096601 183.7
[M+CH3COO]- 372.112251 201.8
[M+Na-2H]- 334.073066 169.3
[M]+ 313.09785142 175.1
[M]- 313.09894858 175.1
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