CID 4047204

1-(propane-1-sulfonyl)piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C9H17NO4S
SMILES
CCCS(=O)(=O)N1CCC(CC1)C(=O)O
InChI
InChI=1S/C9H17NO4S/c1-2-7-15(13,14)10-5-3-8(4-6-10)9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKey
SFCXVIKUVPMULD-UHFFFAOYSA-N
Compound name
1-propylsulfonylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.08783 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09511 151.7
[M+Na]+ 258.07705 159.3
[M+NH4]+ 253.12165 157.3
[M+K]+ 274.05099 154.4
[M-H]- 234.08055 149.7
[M+Na-2H]- 256.06250 153.0
[M]+ 235.08728 152.2
[M]- 235.08838 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.