CID 3041622

1-pentanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride

Structural Information

Molecular Formula
C16H22ClNO
SMILES
CCCCC(=O)C1(CCNCC1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C16H22ClNO/c1-2-3-7-15(19)16(8-10-18-11-9-16)13-5-4-6-14(17)12-13/h4-6,12,18H,2-3,7-11H2,1H3
InChIKey
WEUKLLWKWLHDDL-UHFFFAOYSA-N
Compound name
1-[4-(3-chlorophenyl)piperidin-4-yl]pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.13898 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.14626 166.1
[M+Na]+ 302.12820 171.0
[M-H]- 278.13170 168.7
[M+NH4]+ 297.17280 182.4
[M+K]+ 318.10214 165.1
[M+H-H2O]+ 262.13624 159.1
[M+HCOO]- 324.13718 177.6
[M+CH3COO]- 338.15283 195.5
[M+Na-2H]- 300.11365 168.3
[M]+ 279.13843 163.1
[M]- 279.13953 163.1
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.