CID 84049692

Methyl 3-fluoropiperidine-3-carboxylate hydrochloride

Structural Information

Molecular Formula

C₇H₁₂FNO₂

SMILES

COC(=O)C1(CCCNC1)F

InChI

InChI=1S/C7H12FNO2/c1-11-6(10)7(8)3-2-4-9-5-7/h9H,2-5H2,1H3

InChIKey

URBSNRDPYHIZTE-UHFFFAOYSA-N

Compound name

methyl 3-fluoropiperidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 161.0852 Da
Monoisotopic Mass: 0.4
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]+	162.09248	135.6
[M+Na]+	184.07442	144.3
[M+NH4]+	179.11902	143.8
[M+K]+	200.04836	137.9
[M-H]-	160.07792	134.1
[M+Na-2H]-	182.05987	140.3
[M]+	161.08465	136.1
[M]-	161.08575	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe