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

7
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 165.4
[M+Na]+ 318.07705 175.1
[M+NH4]+ 313.12165 171.2
[M+K]+ 334.05099 168.6
[M-H]- 294.08055 165.9
[M+Na-2H]- 316.06250 170.0
[M]+ 295.08728 167.1
[M]- 295.08838 167.1
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

patents stripe