CID 7016484

4-(4-fluoro-benzoyl)-piperidine-1-carboxylic acid tert-butyl ester

Structural Information

Molecular Formula
C17H22FNO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C17H22FNO3/c1-17(2,3)22-16(21)19-10-8-13(9-11-19)15(20)12-4-6-14(18)7-5-12/h4-7,13H,8-11H2,1-3H3
InChIKey
ARCRECZRQVSYIP-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

307.1584 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.16568 171.8
[M+Na]+ 330.14762 176.4
[M-H]- 306.15112 175.0
[M+NH4]+ 325.19222 185.1
[M+K]+ 346.12156 174.0
[M+H-H2O]+ 290.15566 163.0
[M+HCOO]- 352.15660 186.0
[M+CH3COO]- 366.17225 204.3
[M+Na-2H]- 328.13307 172.0
[M]+ 307.15785 168.8
[M]- 307.15895 168.8
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