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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.05873 157.2
[M+Na]+ 294.04067 165.4
[M-H]- 270.04417 162.4
[M+NH4]+ 289.08527 172.4
[M+K]+ 310.01461 163.4
[M+H-H2O]+ 254.04871 151.3
[M+HCOO]- 316.04965 172.0
[M+CH3COO]- 330.06530 188.3
[M+Na-2H]- 292.02612 159.7
[M]+ 271.05090 160.1
[M]- 271.05200 160.1
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