CID 2843209

1-(4-chlorobenzoyl)-3,5-dimethylpiperidine

Structural Information

Molecular Formula
C14H18ClNO
SMILES
CC1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C
InChI
InChI=1S/C14H18ClNO/c1-10-7-11(2)9-16(8-10)14(17)12-3-5-13(15)6-4-12/h3-6,10-11H,7-9H2,1-2H3
InChIKey
AOPJBTCNYGCXKQ-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(3,5-dimethylpiperidin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

22
Patents

251.1077 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.11498 156.7
[M+Na]+ 274.09692 163.9
[M-H]- 250.10042 161.5
[M+NH4]+ 269.14152 173.6
[M+K]+ 290.07086 159.2
[M+H-H2O]+ 234.10496 149.7
[M+HCOO]- 296.10590 170.3
[M+CH3COO]- 310.12155 194.2
[M+Na-2H]- 272.08237 158.0
[M]+ 251.10715 155.3
[M]- 251.10825 155.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe