CID 19962114

144625-74-1

Structural Information

Molecular Formula

C₉H₂₀N₂O₃S

SMILES

CS(=O)(=O)NCCN1CCC(CC1)CO

InChI

InChI=1S/C9H20N2O3S/c1-15(13,14)10-4-7-11-5-2-9(8-12)3-6-11/h9-10,12H,2-8H2,1H3

InChIKey

NTISJUGLKHBAHV-UHFFFAOYSA-N

Compound name

N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 236.11946 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]+	237.12674	152.3
[M+Na]+	259.10868	156.9
[M-H]-	235.11218	152.2
[M+NH4]+	254.15328	168.0
[M+K]+	275.08262	154.1
[M+H-H2O]+	219.11672	145.9
[M+HCOO]-	281.11766	164.8
[M+CH3COO]-	295.13331	187.3
[M+Na-2H]-	257.09413	154.6
[M]+	236.11891	150.7
[M]-	236.12001	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe