CID 18913672

Methyl 2-[(4-fluorophenyl)amino]propanoate

Structural Information

Molecular Formula

C₁₀H₁₂FNO₂

SMILES

CC(C(=O)OC)NC1=CC=C(C=C1)F

InChI

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

InChIKey

GMIYZSFSDFREPD-UHFFFAOYSA-N

Compound name

methyl 2-(4-fluoroanilino)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 197.0852 Da
Monoisotopic Mass: 2.3
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	141.0
[M+Na]+	220.074418	147.8
[M-H]-	196.077924	143.4
[M+NH4]+	215.119023	160.0
[M+K]+	236.048358	146.6
[M+H-H2O]+	180.082460	133.9
[M+HCOO]-	242.083401	163.9
[M+CH3COO]-	256.099051	187.2
[M+Na-2H]-	218.059866	145.1
[M]+	197.08465142	140.5
[M]-	197.08574858	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe