CID 213240

25841-43-4

Structural Information

Molecular Formula

C₅H₁₀O₄S

SMILES

CC(C)(C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C5H10O4S/c1-5(2,4(6)7)10(3,8)9/h1-3H3,(H,6,7)

InChIKey

LVWJRYVSTKPXMQ-UHFFFAOYSA-N

Compound name

2-methyl-2-methylsulfonylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 133
Patents: 166.02998 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]+	167.03726	135.8
[M+Na]+	189.01920	143.4
[M+NH4]+	184.06380	141.4
[M+K]+	204.99314	140.0
[M-H]-	165.02270	131.7
[M+Na-2H]-	187.00465	136.6
[M]+	166.02943	135.9
[M]-	166.03053	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe