CID 213237

25841-37-6

Structural Information

Molecular Formula

C₅H₁₂O₂S

SMILES

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

InChI

InChI=1S/C5H12O2S/c1-5(2,4-6)8(3)7/h6H,4H2,1-3H3

InChIKey

WMQJISWTXNKOBA-UHFFFAOYSA-N

Compound name

2-methyl-2-methylsulfinylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 136.0558 Da
Monoisotopic Mass: -0.8
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]+	137.06308	129.3
[M+Na]+	159.04502	138.3
[M+NH4]+	154.08962	137.1
[M+K]+	175.01896	132.8
[M-H]-	135.04852	127.6
[M+Na-2H]-	157.03047	131.5
[M]+	136.05525	130.4
[M]-	136.05635	130.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.