CID 10561067

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

Structural Information

Molecular Formula
C12H14ClNO
SMILES
C1CN(CCC1=O)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H14ClNO/c13-11-3-1-10(2-4-11)9-14-7-5-12(15)6-8-14/h1-4H,5-9H2
InChIKey
ZCTWGHYTGOWQSN-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

223.07639 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.083666 148.1
[M+Na]+ 246.065608 155.4
[M-H]- 222.069114 152.7
[M+NH4]+ 241.110213 165.7
[M+K]+ 262.039548 150.6
[M+H-H2O]+ 206.073650 141.0
[M+HCOO]- 268.074591 163.3
[M+CH3COO]- 282.090241 186.9
[M+Na-2H]- 244.051056 152.3
[M]+ 223.07584142 146.2
[M]- 223.07693858 146.2
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

patents stripe