CID 13274662

81171-22-4

Structural Information

Molecular Formula

C₅H₁₂O₄S

SMILES

CC(C)OS(=O)(=O)CCO

InChI

InChI=1S/C5H12O4S/c1-5(2)9-10(7,8)4-3-6/h5-6H,3-4H2,1-2H3

InChIKey

RFUZTYJDFJDIKZ-UHFFFAOYSA-N

Compound name

propan-2-yl 2-hydroxyethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 168.04562 Da
Monoisotopic Mass: -0.2
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]+	169.052896	132.7
[M+Na]+	191.034838	140.1
[M-H]-	167.038344	132.0
[M+NH4]+	186.079443	152.9
[M+K]+	207.008778	139.5
[M+H-H2O]+	151.042880	128.4
[M+HCOO]-	213.043821	148.5
[M+CH3COO]-	227.059471	172.8
[M+Na-2H]-	189.020286	135.9
[M]+	168.04507142	137.0
[M]-	168.04616858	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe