CID 15538257

Famt

Structural Information

Molecular Formula

C₁₀H₁₂FNO₃

SMILES

C[C@](CC1=CC(=C(C=C1)O)F)(C(=O)O)N

InChI

InChI=1S/C10H12FNO3/c1-10(12,9(14)15)5-6-2-3-8(13)7(11)4-6/h2-4,13H,5,12H2,1H3,(H,14,15)/t10-/m0/s1

InChIKey

STUMEFJLAPRRME-JTQLQIEISA-N

Compound name

(2S)-2-amino-3-(3-fluoro-4-hydroxyphenyl)-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 151
Patents: 213.08012 Da
Monoisotopic Mass: -1.5
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]+	214.08740	144.3
[M+Na]+	236.06934	151.7
[M-H]-	212.07284	143.9
[M+NH4]+	231.11394	161.3
[M+K]+	252.04328	149.0
[M+H-H2O]+	196.07738	138.3
[M+HCOO]-	258.07832	163.1
[M+CH3COO]-	272.09397	185.1
[M+Na-2H]-	234.05479	147.7
[M]+	213.07957	141.1
[M]-	213.08067	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe