CID 63129834

4-[(4-ethylphenyl)methyl]piperidine-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C15H21NO2
SMILES
CCC1=CC=C(C=C1)CC2(CCNCC2)C(=O)O
InChI
InChI=1S/C15H21NO2/c1-2-12-3-5-13(6-4-12)11-15(14(17)18)7-9-16-10-8-15/h3-6,16H,2,7-11H2,1H3,(H,17,18)
InChIKey
FHLCORMARZCLEK-UHFFFAOYSA-N
Compound name
4-[(4-ethylphenyl)methyl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 160.0
[M+Na]+ 270.146448 164.1
[M-H]- 246.149954 161.6
[M+NH4]+ 265.191053 176.0
[M+K]+ 286.120388 159.9
[M+H-H2O]+ 230.154490 152.8
[M+HCOO]- 292.155431 175.0
[M+CH3COO]- 306.171081 188.4
[M+Na-2H]- 268.131896 162.8
[M]+ 247.15668142 154.2
[M]- 247.15777858 154.2
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

No patent data available for this compound.