CID 201852

7012-77-3

Structural Information

Molecular Formula
C15H20ClNO2
SMILES
COC(=O)C(CC1=CC=C(C=C1)Cl)N2CCCCC2
InChI
InChI=1S/C15H20ClNO2/c1-19-15(18)14(17-9-3-2-4-10-17)11-12-5-7-13(16)8-6-12/h5-8,14H,2-4,9-11H2,1H3
InChIKey
IDCXNGNZRTXUGY-UHFFFAOYSA-N
Compound name
methyl 3-(4-chlorophenyl)-2-piperidin-1-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.11826 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12554 164.6
[M+Na]+ 304.10748 169.0
[M-H]- 280.11098 168.5
[M+NH4]+ 299.15208 179.4
[M+K]+ 320.08142 165.1
[M+H-H2O]+ 264.11552 156.8
[M+HCOO]- 326.11646 177.0
[M+CH3COO]- 340.13211 197.8
[M+Na-2H]- 302.09293 165.6
[M]+ 281.11771 163.6
[M]- 281.11881 163.6
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.