CID 21403015

4-(1-phenylethyl)piperidine

Structural Information

Molecular Formula
C13H19N
SMILES
CC(C1CCNCC1)C2=CC=CC=C2
InChI
InChI=1S/C13H19N/c1-11(12-5-3-2-4-6-12)13-7-9-14-10-8-13/h2-6,11,13-14H,7-10H2,1H3
InChIKey
PRBPNRNFONDOOD-UHFFFAOYSA-N
Compound name
4-(1-phenylethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
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 145.0
[M+Na]+ 212.140968 148.2
[M-H]- 188.144474 147.5
[M+NH4]+ 207.185573 161.8
[M+K]+ 228.114908 144.6
[M+H-H2O]+ 172.149010 137.3
[M+HCOO]- 234.149951 161.6
[M+CH3COO]- 248.165601 180.9
[M+Na-2H]- 210.126416 149.0
[M]+ 189.15120142 137.4
[M]- 189.15229858 137.4
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