CID 208916

Enefexine

Structural Information

Molecular Formula
C13H19N
SMILES
CCC1=CC=C(C=C1)C2CCNCC2
InChI
InChI=1S/C13H19N/c1-2-11-3-5-12(6-4-11)13-7-9-14-10-8-13/h3-6,13-14H,2,7-10H2,1H3
InChIKey
NDPOGPAZKKPOPV-UHFFFAOYSA-N
Compound name
4-(4-ethylphenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

551
Patents

189.15175 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 144.7
[M+Na]+ 212.140968 149.2
[M-H]- 188.144474 147.5
[M+NH4]+ 207.185573 161.9
[M+K]+ 228.114908 145.1
[M+H-H2O]+ 172.149010 137.1
[M+HCOO]- 234.149951 162.3
[M+CH3COO]- 248.165601 181.2
[M+Na-2H]- 210.126416 149.1
[M]+ 189.15120142 138.1
[M]- 189.15229858 138.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe