CID 20467087

64084-17-9

Structural Information

Molecular Formula

C₇H₁₄O₂S

SMILES

CC(C)(C)C(=O)CS(=O)C

InChI

InChI=1S/C7H14O2S/c1-7(2,3)6(8)5-10(4)9/h5H2,1-4H3

InChIKey

USJXTVWHVHBGEX-UHFFFAOYSA-N

Compound name

3,3-dimethyl-1-methylsulfinylbutan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 162.07146 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]+	163.07874	137.5
[M+Na]+	185.06068	146.3
[M+NH4]+	180.10528	144.9
[M+K]+	201.03462	140.8
[M-H]-	161.06418	135.7
[M+Na-2H]-	183.04613	139.3
[M]+	162.07091	138.6
[M]-	162.07201	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe