CID 203689

1-(3-chloropropyl)-4-phenylpiperidine hydrochloride

Structural Information

Molecular Formula
C14H20ClN
SMILES
C1CN(CCC1C2=CC=CC=C2)CCCCl
InChI
InChI=1S/C14H20ClN/c15-9-4-10-16-11-7-14(8-12-16)13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2
InChIKey
PEXVQAFFEHJDBW-UHFFFAOYSA-N
Compound name
1-(3-chloropropyl)-4-phenylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

237.12843 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.135706 155.4
[M+Na]+ 260.117648 160.6
[M-H]- 236.121154 159.1
[M+NH4]+ 255.162253 172.2
[M+K]+ 276.091588 155.3
[M+H-H2O]+ 220.125690 147.6
[M+HCOO]- 282.126631 169.4
[M+CH3COO]- 296.142281 190.6
[M+Na-2H]- 258.103096 159.1
[M]+ 237.12788142 153.0
[M]- 237.12897858 153.0
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