CID 100846

4-ethyl-4-phenylpiperidine

Structural Information

Molecular Formula
C13H19N
SMILES
CCC1(CCNCC1)C2=CC=CC=C2
InChI
InChI=1S/C13H19N/c1-2-13(8-10-14-11-9-13)12-6-4-3-5-7-12/h3-7,14H,2,8-11H2,1H3
InChIKey
SJPDOEVOFHWTOI-UHFFFAOYSA-N
Compound name
4-ethyl-4-phenylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

189.15175 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 145.3
[M+Na]+ 212.140968 149.9
[M-H]- 188.144474 148.3
[M+NH4]+ 207.185573 164.4
[M+K]+ 228.114908 146.1
[M+H-H2O]+ 172.149010 138.0
[M+HCOO]- 234.149951 163.0
[M+CH3COO]- 248.165601 156.4
[M+Na-2H]- 210.126416 151.4
[M]+ 189.15120142 138.6
[M]- 189.15229858 138.6
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