CID 7010712

1534-90-3

Structural Information

Molecular Formula

C₁₁H₁₄FNO₂

SMILES

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

InChI

InChI=1S/C11H14FNO2/c1-2-15-11(14)10(13)7-8-3-5-9(12)6-4-8/h3-6,10H,2,7,13H2,1H3/t10-/m0/s1

InChIKey

RNFBCJJCMLRNIG-JTQLQIEISA-N

Compound name

ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 124
Patents: 211.10086 Da
Monoisotopic Mass: 1.1
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]+	212.10814	146.9
[M+Na]+	234.09008	156.6
[M+NH4]+	229.13468	153.6
[M+K]+	250.06402	151.5
[M-H]-	210.09358	147.0
[M+Na-2H]-	232.07553	151.5
[M]+	211.10031	147.9
[M]-	211.10141	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe