CID 13351

3-amino-2-fluoropropanoic acid

Structural Information

Molecular Formula
C3H6FNO2
SMILES
C(C(C(=O)O)F)N
InChI
InChI=1S/C3H6FNO2/c4-2(1-5)3(6)7/h2H,1,5H2,(H,6,7)
InChIKey
OJQNRNQELNLWHH-UHFFFAOYSA-N
Compound name
3-amino-2-fluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

76
References

267
Patents

107.03825 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.045526 118.0
[M+Na]+ 130.027468 124.9
[M-H]- 106.030974 115.4
[M+NH4]+ 125.072073 139.4
[M+K]+ 146.001408 124.9
[M+H-H2O]+ 90.035510 112.7
[M+HCOO]- 152.036451 139.2
[M+CH3COO]- 166.052101 167.0
[M+Na-2H]- 128.012916 122.0
[M]+ 107.03770142 113.9
[M]- 107.03879858 113.9
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

patents stripe