CID 121321387

Piperidin-3-yl methanesulfonate hydrochloride

Structural Information

Molecular Formula

C₆H₁₃NO₃S

SMILES

CS(=O)(=O)OC1CCCNC1

InChI

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

InChIKey

NBFIAMNDAAXUFC-UHFFFAOYSA-N

Compound name

piperidin-3-yl methanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 179.06161 Da
Monoisotopic Mass: -0.2
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	136.5
[M+Na]+	202.050828	142.5
[M-H]-	178.054334	136.8
[M+NH4]+	197.095433	154.7
[M+K]+	218.024768	140.6
[M+H-H2O]+	162.058870	130.9
[M+HCOO]-	224.059811	149.1
[M+CH3COO]-	238.075461	172.0
[M+Na-2H]-	200.036276	140.2
[M]+	179.06106142	134.3
[M]-	179.06215858	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe