CID 64725093

3-methanesulfonylcyclopentan-1-ol

Structural Information

Molecular Formula

C₆H₁₂O₃S

SMILES

CS(=O)(=O)C1CCC(C1)O

InChI

InChI=1S/C6H12O3S/c1-10(8,9)6-3-2-5(7)4-6/h5-7H,2-4H2,1H3

InChIKey

OBRKSOQORKLGDB-UHFFFAOYSA-N

Compound name

3-methylsulfonylcyclopentan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 164.05072 Da
Monoisotopic Mass: -0.1
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]+	165.05800	133.3
[M+Na]+	187.03994	141.3
[M-H]-	163.04344	135.9
[M+NH4]+	182.08454	155.7
[M+K]+	203.01388	139.7
[M+H-H2O]+	147.04798	129.5
[M+HCOO]-	209.04892	149.3
[M+CH3COO]-	223.06457	170.2
[M+Na-2H]-	185.02539	135.2
[M]+	164.05017	133.3
[M]-	164.05127	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.