CID 23028605

4-methanesulfonylbutan-1-ol

Structural Information

Molecular Formula

C₅H₁₂O₃S

SMILES

CS(=O)(=O)CCCCO

InChI

InChI=1S/C5H12O3S/c1-9(7,8)5-3-2-4-6/h6H,2-5H2,1H3

InChIKey

YUSVCVRGEYRMCK-UHFFFAOYSA-N

Compound name

4-methylsulfonylbutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 152.05072 Da
Monoisotopic Mass: -0.4
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]+	153.05800	132.2
[M+Na]+	175.03994	141.0
[M+NH4]+	170.08454	139.1
[M+K]+	191.01388	135.1
[M-H]-	151.04344	129.8
[M+Na-2H]-	173.02539	134.0
[M]+	152.05017	133.0
[M]-	152.05127	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe