CID 14456891

97899-36-0

Structural Information

Molecular Formula

C₁₁H₁₃NO₅S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC(=O)N2

InChI

InChI=1S/C11H13NO5S/c1-8-2-4-10(5-3-8)18(14,15)17-7-9-6-16-11(13)12-9/h2-5,9H,6-7H2,1H3,(H,12,13)

InChIKey

XZXRYNVWWTZADH-UHFFFAOYSA-N

Compound name

(2-oxo-1,3-oxazolidin-4-yl)methyl 4-methylbenzenesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 271.05145 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	272.058726	157.2
[M+Na]+	294.040668	165.4
[M-H]-	270.044174	162.4
[M+NH4]+	289.085273	172.4
[M+K]+	310.014608	163.4
[M+H-H2O]+	254.048710	151.3
[M+HCOO]-	316.049651	172.0
[M+CH3COO]-	330.065301	188.3
[M+Na-2H]-	292.026116	159.7
[M]+	271.05090142	160.1
[M]-	271.05199858	160.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe