CID 62121341

Methyl 2-amino-2-(4-fluoro-3-methylphenyl)acetate hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₂FNO₂

SMILES

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

InChI

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

InChIKey

XBZDGNQGPQULMN-UHFFFAOYSA-N

Compound name

methyl 2-amino-2-(4-fluoro-3-methylphenyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.0852 Da
Monoisotopic Mass: 1.4
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	148.9
[M-H]-	196.077924	143.4
[M+NH4]+	215.119023	160.1
[M+K]+	236.048358	147.3
[M+H-H2O]+	180.082460	134.3
[M+HCOO]-	242.083401	163.3
[M+CH3COO]-	256.099051	187.8
[M+Na-2H]-	218.059866	143.4
[M]+	197.08465142	140.0
[M]-	197.08574858	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.