CID 72698267

Methyl 3-fluoropiperidine-4-carboxylate hydrochloride

Structural Information

Molecular Formula

C₇H₁₂FNO₂

SMILES

COC(=O)C1CCNCC1F

InChI

InChI=1S/C7H12FNO2/c1-11-7(10)5-2-3-9-4-6(5)8/h5-6,9H,2-4H2,1H3

InChIKey

CITOGGQERKZEIB-UHFFFAOYSA-N

Compound name

methyl 3-fluoropiperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 161.0852 Da
Monoisotopic Mass: 0.2
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	133.4
[M+Na]+	184.07442	139.1
[M-H]-	160.07792	132.3
[M+NH4]+	179.11902	152.0
[M+K]+	200.04836	137.9
[M+H-H2O]+	144.08246	126.6
[M+HCOO]-	206.08340	150.0
[M+CH3COO]-	220.09905	173.5
[M+Na-2H]-	182.05987	136.6
[M]+	161.08465	127.5
[M]-	161.08575	127.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe