CID 145867429

1-[(4-chlorophenyl)methoxy]piperidin-4-one

Structural Information

Molecular Formula
C12H14ClNO2
SMILES
C1CN(CCC1=O)OCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H14ClNO2/c13-11-3-1-10(2-4-11)9-16-14-7-5-12(15)6-8-14/h1-4H,5-9H2
InChIKey
HIJRDRRJAKMSDP-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methoxy]piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0713 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.07858 151.0
[M+Na]+ 262.06052 158.2
[M-H]- 238.06402 155.6
[M+NH4]+ 257.10512 167.9
[M+K]+ 278.03446 154.0
[M+H-H2O]+ 222.06856 143.7
[M+HCOO]- 284.06950 166.4
[M+CH3COO]- 298.08515 188.9
[M+Na-2H]- 260.04597 155.2
[M]+ 239.07075 150.5
[M]- 239.07185 150.5
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.