CID 121569

1-methanesulfonylpropan-2-ol

Structural Information

Molecular Formula

C₄H₁₀O₃S

SMILES

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

InChI

InChI=1S/C4H10O3S/c1-4(5)3-8(2,6)7/h4-5H,3H2,1-2H3

InChIKey

KQKZDINYUFBARL-UHFFFAOYSA-N

Compound name

1-methylsulfonylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 33
Patents: 138.03506 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]+	139.042336	125.0
[M+Na]+	161.024278	133.1
[M-H]-	137.027784	124.6
[M+NH4]+	156.068883	146.6
[M+K]+	176.998218	132.3
[M+H-H2O]+	121.032320	121.2
[M+HCOO]-	183.033261	141.0
[M+CH3COO]-	197.048911	167.7
[M+Na-2H]-	159.009726	128.6
[M]+	138.03451142	127.5
[M]-	138.03560858	127.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe