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

42
Patents

189.15175 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 145.0
[M+Na]+ 212.14097 148.2
[M-H]- 188.14447 147.5
[M+NH4]+ 207.18557 161.8
[M+K]+ 228.11491 144.6
[M+H-H2O]+ 172.14901 137.3
[M+HCOO]- 234.14995 161.6
[M+CH3COO]- 248.16560 180.9
[M+Na-2H]- 210.12642 149.0
[M]+ 189.15120 137.4
[M]- 189.15230 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