CID 81357949

2-fluoro-2-(1-methylpiperidin-4-yl)acetic acid hydrochloride

Structural Information

Molecular Formula

C₈H₁₄FNO₂

SMILES

CN1CCC(CC1)C(C(=O)O)F

InChI

InChI=1S/C8H14FNO2/c1-10-4-2-6(3-5-10)7(9)8(11)12/h6-7H,2-5H2,1H3,(H,11,12)

InChIKey

CMFIOLRJHZLOTG-UHFFFAOYSA-N

Compound name

2-fluoro-2-(1-methylpiperidin-4-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 175.10086 Da
Monoisotopic Mass: -1.3
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]+	176.108136	137.7
[M+Na]+	198.090078	142.7
[M-H]-	174.093584	136.5
[M+NH4]+	193.134683	155.6
[M+K]+	214.064018	141.7
[M+H-H2O]+	158.098120	130.8
[M+HCOO]-	220.099061	153.0
[M+CH3COO]-	234.114711	178.1
[M+Na-2H]-	196.075526	139.2
[M]+	175.10031142	131.7
[M]-	175.10140858	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.