CID 41072

1-(4-(3-chlorophenyl)-4-piperidinyl)-1-butanone hydrochloride

Structural Information

Molecular Formula
C15H20ClNO
SMILES
CCCC(=O)C1(CCNCC1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C15H20ClNO/c1-2-4-14(18)15(7-9-17-10-8-15)12-5-3-6-13(16)11-12/h3,5-6,11,17H,2,4,7-10H2,1H3
InChIKey
GXCYDCVYSVINEV-UHFFFAOYSA-N
Compound name
1-[4-(3-chlorophenyl)piperidin-4-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.12335 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13063 161.7
[M+Na]+ 288.11257 167.0
[M-H]- 264.11607 164.4
[M+NH4]+ 283.15717 178.5
[M+K]+ 304.08651 161.3
[M+H-H2O]+ 248.12061 154.8
[M+HCOO]- 310.12155 173.4
[M+CH3COO]- 324.13720 192.5
[M+Na-2H]- 286.09802 164.4
[M]+ 265.12280 158.3
[M]- 265.12390 158.3
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.