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

59
Patents

223.07639 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08367 148.1
[M+Na]+ 246.06561 155.4
[M-H]- 222.06911 152.7
[M+NH4]+ 241.11021 165.7
[M+K]+ 262.03955 150.6
[M+H-H2O]+ 206.07365 141.0
[M+HCOO]- 268.07459 163.3
[M+CH3COO]- 282.09024 186.9
[M+Na-2H]- 244.05106 152.3
[M]+ 223.07584 146.2
[M]- 223.07694 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