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]+ 236.095106 150.6
[M+Na]+ 258.077048 155.9
[M-H]- 234.080554 150.7
[M+NH4]+ 253.121653 166.5
[M+K]+ 274.050988 153.8
[M+H-H2O]+ 218.085090 144.8
[M+HCOO]- 280.086031 161.6
[M+CH3COO]- 294.101681 184.4
[M+Na-2H]- 256.062496 151.5
[M]+ 235.08728142 150.0
[M]- 235.08837858 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.