CID 59527990

Methyl 2-amino-2-(4-fluorophenyl)propanoate hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₂FNO₂

SMILES

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

InChI

InChI=1S/C10H12FNO2/c1-10(12,9(13)14-2)7-3-5-8(11)6-4-7/h3-6H,12H2,1-2H3

InChIKey

GZZDDWRZNGTTGO-UHFFFAOYSA-N

Compound name

methyl 2-amino-2-(4-fluorophenyl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 197.0852 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]+	198.092476	140.9
[M+Na]+	220.074418	148.5
[M-H]-	196.077924	143.1
[M+NH4]+	215.119023	159.9
[M+K]+	236.048358	146.9
[M+H-H2O]+	180.082460	134.5
[M+HCOO]-	242.083401	162.6
[M+CH3COO]-	256.099051	186.0
[M+Na-2H]-	218.059866	146.0
[M]+	197.08465142	139.6
[M]-	197.08574858	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe