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 150.6
[M+Na]+ 258.07705 155.9
[M-H]- 234.08055 150.7
[M+NH4]+ 253.12165 166.5
[M+K]+ 274.05099 153.8
[M+H-H2O]+ 218.08509 144.8
[M+HCOO]- 280.08603 161.6
[M+CH3COO]- 294.10168 184.4
[M+Na-2H]- 256.06250 151.5
[M]+ 235.08728 150.0
[M]- 235.08838 150.0
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.