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]+ 285.090346 161.4
[M+Na]+ 307.072288 166.7
[M-H]- 283.075794 164.3
[M+NH4]+ 302.116893 174.5
[M+K]+ 323.046228 162.9
[M+H-H2O]+ 267.080330 154.2
[M+HCOO]- 329.081271 173.3
[M+CH3COO]- 343.096921 195.1
[M+Na-2H]- 305.057736 162.6
[M]+ 284.08252142 158.0
[M]- 284.08361858 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.