CID 23236032

102674-87-3

Structural Information

Molecular Formula
C4H6FNO4
SMILES
C(C(C(=O)O)F)NC(=O)O
InChI
InChI=1S/C4H6FNO4/c5-2(3(7)8)1-6-4(9)10/h2,6H,1H2,(H,7,8)(H,9,10)
InChIKey
LOESHNCLSDGVGT-UHFFFAOYSA-N
Compound name
3-(carboxyamino)-2-fluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

151.02809 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.03537 128.3
[M+Na]+ 174.01731 134.1
[M+NH4]+ 169.06191 132.7
[M+K]+ 189.99125 133.0
[M-H]- 150.02081 123.3
[M+Na-2H]- 172.00276 128.4
[M]+ 151.02754 126.9
[M]- 151.02864 126.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.