CID 5169854

Methyl 1-(3,4-dichlorobenzoyl)piperidine-4-carboxylate

Structural Information

Molecular Formula
C14H15Cl2NO3
SMILES
COC(=O)C1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H15Cl2NO3/c1-20-14(19)9-4-6-17(7-5-9)13(18)10-2-3-11(15)12(16)8-10/h2-3,8-9H,4-7H2,1H3
InChIKey
PJYQRGXTXWSQAU-UHFFFAOYSA-N
Compound name
methyl 1-(3,4-dichlorobenzoyl)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.0429 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.05018 165.7
[M+Na]+ 338.03212 173.1
[M-H]- 314.03562 170.0
[M+NH4]+ 333.07672 180.2
[M+K]+ 354.00606 168.3
[M+H-H2O]+ 298.04016 159.3
[M+HCOO]- 360.04110 174.0
[M+CH3COO]- 374.05675 202.2
[M+Na-2H]- 336.01757 165.4
[M]+ 315.04235 167.1
[M]- 315.04345 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.