CID 80698153

1446499-73-5

Structural Information

Molecular Formula

C₅H₁₀FNO₂

SMILES

COC(=O)C(CCF)N

InChI

InChI=1S/C5H10FNO2/c1-9-5(8)4(7)2-3-6/h4H,2-3,7H2,1H3

InChIKey

IYXULAKDLPCWPN-UHFFFAOYSA-N

Compound name

methyl 2-amino-4-fluorobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 135.06955 Da
Monoisotopic Mass: -0.1
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]+	136.07683	126.8
[M+Na]+	158.05877	133.5
[M-H]-	134.06227	125.4
[M+NH4]+	153.10337	148.0
[M+K]+	174.03271	133.9
[M+H-H2O]+	118.06681	121.1
[M+HCOO]-	180.06775	149.0
[M+CH3COO]-	194.08340	175.0
[M+Na-2H]-	156.04422	130.4
[M]+	135.06900	125.4
[M]-	135.07010	125.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe