CID 62474536

4-methanesulfonyloxane-4-carboxylic acid

Structural Information

Molecular Formula

C₇H₁₂O₅S

SMILES

CS(=O)(=O)C1(CCOCC1)C(=O)O

InChI

InChI=1S/C7H12O5S/c1-13(10,11)7(6(8)9)2-4-12-5-3-7/h2-5H2,1H3,(H,8,9)

InChIKey

DDOKFXZOQMMIEM-UHFFFAOYSA-N

Compound name

4-methylsulfonyloxane-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 208.04054 Da
Monoisotopic Mass: -0.6
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]+	209.04782	142.0
[M+Na]+	231.02976	149.8
[M+NH4]+	226.07436	149.5
[M+K]+	247.00370	144.2
[M-H]-	207.03326	141.5
[M+Na-2H]-	229.01521	145.4
[M]+	208.03999	143.3
[M]-	208.04109	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe