CID 16770275

4-{[(4-fluorophenyl)methyl]amino}butanoic acid hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₄FNO₂

SMILES

C1=CC(=CC=C1CNCCCC(=O)O)F

InChI

InChI=1S/C11H14FNO2/c12-10-5-3-9(4-6-10)8-13-7-1-2-11(14)15/h3-6,13H,1-2,7-8H2,(H,14,15)

InChIKey

KHNSPPSEEZPHAD-UHFFFAOYSA-N

Compound name

4-[(4-fluorophenyl)methylamino]butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 211.10086 Da
Monoisotopic Mass: -1.0
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]+	212.108136	145.4
[M+Na]+	234.090078	151.6
[M-H]-	210.093584	146.1
[M+NH4]+	229.134683	163.1
[M+K]+	250.064018	148.7
[M+H-H2O]+	194.098120	138.3
[M+HCOO]-	256.099061	167.4
[M+CH3COO]-	270.114711	187.5
[M+Na-2H]-	232.075526	149.8
[M]+	211.10031142	144.2
[M]-	211.10140858	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe