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]+ 248.16451 160.0
[M+Na]+ 270.14645 164.1
[M-H]- 246.14995 161.6
[M+NH4]+ 265.19105 176.0
[M+K]+ 286.12039 159.9
[M+H-H2O]+ 230.15449 152.8
[M+HCOO]- 292.15543 175.0
[M+CH3COO]- 306.17108 188.4
[M+Na-2H]- 268.13190 162.8
[M]+ 247.15668 154.2
[M]- 247.15778 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.