CID 3216028

1-(4-aminobenzenesulfonyl)piperidine-3-carboxylic acid

Structural Information

Molecular Formula
C12H16N2O4S
SMILES
C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)N)C(=O)O
InChI
InChI=1S/C12H16N2O4S/c13-10-3-5-11(6-4-10)19(17,18)14-7-1-2-9(8-14)12(15)16/h3-6,9H,1-2,7-8,13H2,(H,15,16)
InChIKey
GAGYZNBUGHVVSV-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)sulfonylpiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

284.08307 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09035 161.4
[M+Na]+ 307.07229 166.7
[M-H]- 283.07579 164.3
[M+NH4]+ 302.11689 174.5
[M+K]+ 323.04623 162.9
[M+H-H2O]+ 267.08033 154.2
[M+HCOO]- 329.08127 173.3
[M+CH3COO]- 343.09692 195.1
[M+Na-2H]- 305.05774 162.6
[M]+ 284.08252 158.0
[M]- 284.08362 158.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.