CID 204160

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

Structural Information

Molecular Formula
C14H18ClNO
SMILES
CCC(=O)C1(CCNCC1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C14H18ClNO/c1-2-13(17)14(6-8-16-9-7-14)11-4-3-5-12(15)10-11/h3-5,10,16H,2,6-9H2,1H3
InChIKey
QECKKRFDIZXXEG-UHFFFAOYSA-N
Compound name
1-[4-(3-chlorophenyl)piperidin-4-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

251.1077 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.114976 157.2
[M+Na]+ 274.096918 162.9
[M-H]- 250.100424 160.1
[M+NH4]+ 269.141523 174.6
[M+K]+ 290.070858 157.5
[M+H-H2O]+ 234.104960 150.6
[M+HCOO]- 296.105901 169.3
[M+CH3COO]- 310.121551 189.5
[M+Na-2H]- 272.082366 160.5
[M]+ 251.10715142 153.4
[M]- 251.10824858 153.4
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