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]+ 294.08916 165.2
[M+Na]+ 316.07110 170.8
[M-H]- 292.07460 168.3
[M+NH4]+ 311.11570 179.0
[M+K]+ 332.04504 165.4
[M+H-H2O]+ 276.07914 158.1
[M+HCOO]- 338.08008 176.8
[M+CH3COO]- 352.09573 196.3
[M+Na-2H]- 314.05655 165.2
[M]+ 293.08133 162.8
[M]- 293.08243 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.