CID 153296

(s)-glycidyl tosylate

Structural Information

Molecular Formula

C₁₀H₁₂O₄S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2CO2

InChI

InChI=1S/C10H12O4S/c1-8-2-4-10(5-3-8)15(11,12)14-7-9-6-13-9/h2-5,9H,6-7H2,1H3/t9-/m0/s1

InChIKey

NOQXXYIGRPAZJC-VIFPVBQESA-N

Compound name

[(2S)-oxiran-2-yl]methyl 4-methylbenzenesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1697
Patents: 228.04562 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]+	229.05290	144.2
[M+Na]+	251.03484	154.4
[M-H]-	227.03834	152.9
[M+NH4]+	246.07944	156.9
[M+K]+	267.00878	152.9
[M+H-H2O]+	211.04288	137.6
[M+HCOO]-	273.04382	162.6
[M+CH3COO]-	287.05947	187.9
[M+Na-2H]-	249.02029	150.2
[M]+	228.04507	152.3
[M]-	228.04617	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe