CID 16769827

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

Structural Information

Molecular Formula

C₁₁H₁₂FNO₃

SMILES

C1=CC(=CC=C1C(=O)NCCCC(=O)O)F

InChI

InChI=1S/C11H12FNO3/c12-9-5-3-8(4-6-9)11(16)13-7-1-2-10(14)15/h3-6H,1-2,7H2,(H,13,16)(H,14,15)

InChIKey

KUORYIVIRXDREX-UHFFFAOYSA-N

Compound name

4-[(4-fluorobenzoyl)amino]butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.08012 Da
Monoisotopic Mass: 1.2
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]+	226.087396	147.7
[M+Na]+	248.069338	153.8
[M-H]-	224.072844	148.5
[M+NH4]+	243.113943	164.6
[M+K]+	264.043278	151.4
[M+H-H2O]+	208.077380	140.4
[M+HCOO]-	270.078321	169.1
[M+CH3COO]-	284.093971	188.9
[M+Na-2H]-	246.054786	150.8
[M]+	225.07957142	146.4
[M]-	225.08066858	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.