CID 885509

260441-69-8

Structural Information

Molecular Formula
C14H17NO4S
SMILES
C1CN(CCC1C(=O)O)S(=O)(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C14H17NO4S/c16-14(17)13-6-9-15(10-7-13)20(18,19)11-8-12-4-2-1-3-5-12/h1-5,8,11,13H,6-7,9-10H2,(H,16,17)/b11-8+
InChIKey
LAFAILDKFOBJFF-DHZHZOJOSA-N
Compound name
1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

8
Patents

295.08783 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.09511 165.9
[M+Na]+ 318.07705 170.8
[M-H]- 294.08055 168.9
[M+NH4]+ 313.12165 178.9
[M+K]+ 334.05099 166.4
[M+H-H2O]+ 278.08509 158.6
[M+HCOO]- 340.08603 177.1
[M+CH3COO]- 354.10168 193.7
[M+Na-2H]- 316.06250 167.1
[M]+ 295.08728 163.7
[M]- 295.08838 163.7
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.