CID 4778237

4-[2-(4-methylphenyl)ethyl]piperidine

Structural Information

Molecular Formula
C14H21N
SMILES
CC1=CC=C(C=C1)CCC2CCNCC2
InChI
InChI=1S/C14H21N/c1-12-2-4-13(5-3-12)6-7-14-8-10-15-11-9-14/h2-5,14-15H,6-11H2,1H3
InChIKey
UAMOWMWECFNJHB-UHFFFAOYSA-N
Compound name
4-[2-(4-methylphenyl)ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

203.1674 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.174676 149.2
[M+Na]+ 226.156618 153.2
[M-H]- 202.160124 151.8
[M+NH4]+ 221.201223 165.9
[M+K]+ 242.130558 148.9
[M+H-H2O]+ 186.164660 141.4
[M+HCOO]- 248.165601 166.4
[M+CH3COO]- 262.181251 184.2
[M+Na-2H]- 224.142066 153.1
[M]+ 203.16685142 142.9
[M]- 203.16794858 142.9
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