CID 53302091

882033-92-3

Structural Information

Molecular Formula

C₁₁H₁₈FNO₂

SMILES

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

InChI

InChI=1S/C11H18FNO2/c1-8-5-6-13(7-9(8)12)10(14)15-11(2,3)4/h9H,1,5-7H2,2-4H3

InChIKey

FHMOJENFEWBNDZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 215.13216 Da
Monoisotopic Mass: 1.8
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]+	216.13944	148.4
[M+Na]+	238.12138	154.9
[M-H]-	214.12488	149.0
[M+NH4]+	233.16598	166.2
[M+K]+	254.09532	153.4
[M+H-H2O]+	198.12942	141.9
[M+HCOO]-	260.13036	164.0
[M+CH3COO]-	274.14601	187.6
[M+Na-2H]-	236.10683	150.4
[M]+	215.13161	145.1
[M]-	215.13271	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe