CID 10561067

21937-61-1

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: 58
Patents: 223.07639 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	224.08367	148.0
[M+Na]+	246.06561	162.6
[M+NH4]+	241.11021	157.4
[M+K]+	262.03955	154.0
[M-H]-	222.06911	152.2
[M+Na-2H]-	244.05106	156.2
[M]+	223.07584	151.6
[M]-	223.07694	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe