CID 17918031

1-(methylsulfonyl)-3-piperidinol

Structural Information

Molecular Formula

C₆H₁₃NO₃S

SMILES

CS(=O)(=O)N1CCCC(C1)O

InChI

InChI=1S/C6H13NO3S/c1-11(9,10)7-4-2-3-6(8)5-7/h6,8H,2-5H2,1H3

InChIKey

ZRWNGUJVDUBGFQ-UHFFFAOYSA-N

Compound name

1-methylsulfonylpiperidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 179.06161 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]+	180.06889	137.1
[M+Na]+	202.05083	146.1
[M+NH4]+	197.09543	144.2
[M+K]+	218.02477	140.6
[M-H]-	178.05433	136.2
[M+Na-2H]-	200.03628	139.9
[M]+	179.06106	138.3
[M]-	179.06216	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe