CID 11149197

219823-47-9

Structural Information

Molecular Formula

C₁₁H₁₄O₄S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2CCOC2

InChI

InChI=1S/C11H14O4S/c1-9-2-4-11(5-3-9)16(12,13)15-10-6-7-14-8-10/h2-5,10H,6-8H2,1H3/t10-/m1/s1

InChIKey

WWCNXHYRAKUQDB-SNVBAGLBSA-N

Compound name

[(3R)-oxolan-3-yl] 4-methylbenzenesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 432
Patents: 242.06128 Da
Monoisotopic Mass: 1.6
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]+	243.068556	150.9
[M+Na]+	265.050498	158.8
[M-H]-	241.054004	158.6
[M+NH4]+	260.095103	169.4
[M+K]+	281.024438	157.9
[M+H-H2O]+	225.058540	145.6
[M+HCOO]-	287.059481	168.2
[M+CH3COO]-	301.075131	185.5
[M+Na-2H]-	263.035946	154.4
[M]+	242.06073142	154.1
[M]-	242.06182858	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe