CID 16227088

1-(methylsulfonyl)piperidine-2-carboxylic acid

Structural Information

Molecular Formula

C₇H₁₃NO₄S

SMILES

CS(=O)(=O)N1CCCCC1C(=O)O

InChI

InChI=1S/C7H13NO4S/c1-13(11,12)8-5-3-2-4-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)

InChIKey

FHJBZSSPDCFJEG-UHFFFAOYSA-N

Compound name

1-methylsulfonylpiperidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 207.05653 Da
Monoisotopic Mass: 0.0
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]+	208.06381	143.4
[M+Na]+	230.04575	151.4
[M+NH4]+	225.09035	149.3
[M+K]+	246.01969	146.9
[M-H]-	206.04925	141.4
[M+Na-2H]-	228.03120	145.1
[M]+	207.05598	144.0
[M]-	207.05708	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe