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: 0
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]+	162.092476	133.6
[M+Na]+	184.074418	139.3
[M-H]-	160.077924	132.6
[M+NH4]+	179.119023	153.9
[M+K]+	200.048358	138.4
[M+H-H2O]+	144.082460	127.4
[M+HCOO]-	206.083401	150.3
[M+CH3COO]-	220.099051	171.9
[M+Na-2H]-	182.059866	138.7
[M]+	161.08465142	127.7
[M]-	161.08574858	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe