CID 24695519

1103961-49-4

Structural Information

Molecular Formula
C15H16ClNO3
SMILES
C1CCN(C(C1)C(=O)O)C(=O)/C=C/C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H16ClNO3/c16-12-7-4-11(5-8-12)6-9-14(18)17-10-2-1-3-13(17)15(19)20/h4-9,13H,1-3,10H2,(H,19,20)/b9-6+
InChIKey
FAWKEDOABDTXJB-RMKNXTFCSA-N
Compound name
1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]piperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.08188 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.089156 165.2
[M+Na]+ 316.071098 170.8
[M-H]- 292.074604 168.3
[M+NH4]+ 311.115703 179.0
[M+K]+ 332.045038 165.4
[M+H-H2O]+ 276.079140 158.1
[M+HCOO]- 338.080081 176.8
[M+CH3COO]- 352.095731 196.3
[M+Na-2H]- 314.056546 165.2
[M]+ 293.08133142 162.8
[M]- 293.08242858 162.8
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.