CID 17918031

1-methanesulfonylpiperidin-3-ol

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: 56
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]+	180.068886	136.0
[M+Na]+	202.050828	142.8
[M-H]-	178.054334	136.6
[M+NH4]+	197.095433	154.5
[M+K]+	218.024768	141.0
[M+H-H2O]+	162.058870	130.7
[M+HCOO]-	224.059811	148.6
[M+CH3COO]-	238.075461	173.2
[M+Na-2H]-	200.036276	139.1
[M]+	179.06106142	134.2
[M]-	179.06215858	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe