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

265
Patents

107.03825 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.04553 118.0
[M+Na]+ 130.02747 124.9
[M-H]- 106.03097 115.4
[M+NH4]+ 125.07207 139.4
[M+K]+ 146.00141 124.9
[M+H-H2O]+ 90.035510 112.7
[M+HCOO]- 152.03645 139.2
[M+CH3COO]- 166.05210 167.0
[M+Na-2H]- 128.01292 122.0
[M]+ 107.03770 113.9
[M]- 107.03880 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.