CID 3330233

(1-methanesulfonylpiperidin-3-yl)methanol

Structural Information

Molecular Formula

C₇H₁₅NO₃S

SMILES

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

InChI

InChI=1S/C7H15NO3S/c1-12(10,11)8-4-2-3-7(5-8)6-9/h7,9H,2-6H2,1H3

InChIKey

UYQYZGXVWCKXLK-UHFFFAOYSA-N

Compound name

(1-methylsulfonylpiperidin-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 193.07727 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]+	194.08455	140.3
[M+Na]+	216.06649	146.7
[M-H]-	192.06999	140.8
[M+NH4]+	211.11109	158.3
[M+K]+	232.04043	144.7
[M+H-H2O]+	176.07453	134.9
[M+HCOO]-	238.07547	152.6
[M+CH3COO]-	252.09112	176.2
[M+Na-2H]-	214.05194	143.0
[M]+	193.07672	138.9
[M]-	193.07782	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe