CID 53031

Isonipecotic acid, 1-(2-fluoroethyl)-4-phenyl-, ethyl ester, hydrochloride

Structural Information

Molecular Formula
C16H22FNO2
SMILES
CCOC(=O)C1(CCN(CC1)CCF)C2=CC=CC=C2
InChI
InChI=1S/C16H22FNO2/c1-2-20-15(19)16(14-6-4-3-5-7-14)8-11-18(12-9-16)13-10-17/h3-7H,2,8-13H2,1H3
InChIKey
FYLHCNWAUWMDRB-UHFFFAOYSA-N
Compound name
ethyl 1-(2-fluoroethyl)-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.16345 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.17073 166.6
[M+Na]+ 302.15267 171.2
[M-H]- 278.15617 169.4
[M+NH4]+ 297.19727 182.7
[M+K]+ 318.12661 168.1
[M+H-H2O]+ 262.16071 157.4
[M+HCOO]- 324.16165 183.2
[M+CH3COO]- 338.17730 198.4
[M+Na-2H]- 300.13812 169.1
[M]+ 279.16290 163.6
[M]- 279.16400 163.6
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.