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

50
Patents

237.12843 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.13571 155.4
[M+Na]+ 260.11765 160.6
[M-H]- 236.12115 159.1
[M+NH4]+ 255.16225 172.2
[M+K]+ 276.09159 155.3
[M+H-H2O]+ 220.12569 147.6
[M+HCOO]- 282.12663 169.4
[M+CH3COO]- 296.14228 190.6
[M+Na-2H]- 258.10310 159.1
[M]+ 237.12788 153.0
[M]- 237.12898 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