CID 14582967

136581-47-0

Structural Information

Molecular Formula

SMILES

COC(=O)C(CF)N

InChI

InChI=1S/C4H8FNO2/c1-8-4(7)3(6)2-5/h3H,2,6H2,1H3

InChIKey

OLIFNKLUADXGPD-UHFFFAOYSA-N

Compound name

methyl 2-amino-3-fluoropropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 121.05391 Da
Monoisotopic Mass: -0.4
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]+	122.061186	122.1
[M+Na]+	144.043128	129.2
[M-H]-	120.046634	120.9
[M+NH4]+	139.087733	143.9
[M+K]+	160.017068	129.9
[M+H-H2O]+	104.051170	116.5
[M+HCOO]-	166.052111	144.6
[M+CH3COO]-	180.067761	172.0
[M+Na-2H]-	142.028576	126.2
[M]+	121.05336142	120.3
[M]-	121.05445858	120.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.