CID 63156532

4-(4-chlorophenyl)-4-ethylpiperidine hydrochloride

Structural Information

Molecular Formula
C13H18ClN
SMILES
CCC1(CCNCC1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H18ClN/c1-2-13(7-9-15-10-8-13)11-3-5-12(14)6-4-11/h3-6,15H,2,7-10H2,1H3
InChIKey
WOZIGWHGTHNEJQ-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-4-ethylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

223.11278 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12006 150.8
[M+Na]+ 246.10200 157.0
[M-H]- 222.10550 153.8
[M+NH4]+ 241.14660 169.6
[M+K]+ 262.07594 151.4
[M+H-H2O]+ 206.11004 144.2
[M+HCOO]- 268.11098 163.8
[M+CH3COO]- 282.12663 161.8
[M+Na-2H]- 244.08745 155.7
[M]+ 223.11223 146.5
[M]- 223.11333 146.5
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