CID 10800048

4-(4-ethyl-benzyl)-piperidine

Structural Information

Molecular Formula
C14H21N
SMILES
CCC1=CC=C(C=C1)CC2CCNCC2
InChI
InChI=1S/C14H21N/c1-2-12-3-5-13(6-4-12)11-14-7-9-15-10-8-14/h3-6,14-15H,2,7-11H2,1H3
InChIKey
GYGUVDCDFCXAQN-UHFFFAOYSA-N
Compound name
4-[(4-ethylphenyl)methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

203.1674 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.17468 149.2
[M+Na]+ 226.15662 153.2
[M-H]- 202.16012 151.8
[M+NH4]+ 221.20122 165.9
[M+K]+ 242.13056 148.9
[M+H-H2O]+ 186.16466 141.4
[M+HCOO]- 248.16560 166.4
[M+CH3COO]- 262.18125 184.2
[M+Na-2H]- 224.14207 153.1
[M]+ 203.16685 142.9
[M]- 203.16795 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