CID 10560711

211108-50-8

Structural Information

Molecular Formula

C₁₀H₁₆FNO₃

SMILES

CC(C)(C)OC(=O)N1CCC(=O)C(C1)F

InChI

InChI=1S/C10H16FNO3/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12/h7H,4-6H2,1-3H3

InChIKey

JZNWQLLPLOQGOI-UHFFFAOYSA-N

Compound name

tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1033
Patents: 217.11142 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	218.11870	146.8
[M+Na]+	240.10064	153.6
[M-H]-	216.10414	147.5
[M+NH4]+	235.14524	164.4
[M+K]+	256.07458	152.9
[M+H-H2O]+	200.10868	140.3
[M+HCOO]-	262.10962	162.9
[M+CH3COO]-	276.12527	186.6
[M+Na-2H]-	238.08609	149.4
[M]+	217.11087	144.6
[M]-	217.11197	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe