CID 14606001

2-amino-3-(4-fluorophenyl)-2-methylpropanoic acid hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₂FNO₂

SMILES

CC(CC1=CC=C(C=C1)F)(C(=O)O)N

InChI

InChI=1S/C10H12FNO2/c1-10(12,9(13)14)6-7-2-4-8(11)5-3-7/h2-5H,6,12H2,1H3,(H,13,14)

InChIKey

BBRMBENCQBOTHY-UHFFFAOYSA-N

Compound name

2-amino-3-(4-fluorophenyl)-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 197.0852 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]+	198.092476	141.2
[M+Na]+	220.074418	148.3
[M-H]-	196.077924	141.9
[M+NH4]+	215.119023	159.4
[M+K]+	236.048358	145.7
[M+H-H2O]+	180.082460	135.0
[M+HCOO]-	242.083401	161.3
[M+CH3COO]-	256.099051	184.2
[M+Na-2H]-	218.059866	145.8
[M]+	197.08465142	138.1
[M]-	197.08574858	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe