CID 151244

5006-64-4

Structural Information

Molecular Formula

C₄H₇FN₂O₃

SMILES

C(C(C(=O)O)F)NC(=O)N

InChI

InChI=1S/C4H7FN2O3/c5-2(3(8)9)1-7-4(6)10/h2H,1H2,(H,8,9)(H3,6,7,10)

InChIKey

FKTHAKABFGARQH-UHFFFAOYSA-N

Compound name

3-(carbamoylamino)-2-fluoropropanoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 9
References: 77
Patents: 150.04407 Da
Monoisotopic Mass: -1.1
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]+	151.05135	128.1
[M+Na]+	173.03329	133.8
[M-H]-	149.03679	125.4
[M+NH4]+	168.07789	147.3
[M+K]+	189.00723	134.0
[M+H-H2O]+	133.04133	122.0
[M+HCOO]-	195.04227	149.5
[M+CH3COO]-	209.05792	176.7
[M+Na-2H]-	171.01874	130.5
[M]+	150.04352	123.6
[M]-	150.04462	123.6

Literature stripe

literature stripe

Patent stripe

patents stripe