CID 317835

50885-01-3

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C4H8FNO2/c1-2(5)3(6)4(7)8/h2-3H,6H2,1H3,(H,7,8)

InChIKey

HJVQOHDATXHIJL-UHFFFAOYSA-N

Compound name

2-amino-3-fluorobutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 127
Patents: 121.05391 Da
Monoisotopic Mass: -1.9
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]+	122.06119	123.0
[M+Na]+	144.04313	129.3
[M-H]-	120.04663	120.4
[M+NH4]+	139.08773	143.8
[M+K]+	160.01707	129.6
[M+H-H2O]+	104.05117	117.7
[M+HCOO]-	166.05211	142.9
[M+CH3COO]-	180.06776	171.0
[M+Na-2H]-	142.02858	125.2
[M]+	121.05336	118.7
[M]-	121.05446	118.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe