CID 3053987

70596-75-7

Structural Information

Molecular Formula
C15H18ClNO3
SMILES
C1CCN(CC1)C(CC(=O)C2=CC=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C15H18ClNO3/c16-12-6-4-11(5-7-12)14(18)10-13(15(19)20)17-8-2-1-3-9-17/h4-7,13H,1-3,8-10H2,(H,19,20)
InChIKey
CCDYCKJOZAVZTN-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-4-oxo-2-piperidin-1-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.09753 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.10481 165.4
[M+Na]+ 318.08675 169.3
[M-H]- 294.09025 168.1
[M+NH4]+ 313.13135 178.7
[M+K]+ 334.06069 165.1
[M+H-H2O]+ 278.09479 158.2
[M+HCOO]- 340.09573 175.9
[M+CH3COO]- 354.11138 198.1
[M+Na-2H]- 316.07220 165.1
[M]+ 295.09698 162.9
[M]- 295.09808 162.9
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.