CID 129945005

2-amino-3-(3,5-difluoropyridin-4-yl)propanoic acid dihydrochloride

Structural Information

Molecular Formula
C8H8F2N2O2
SMILES
C1=C(C(=C(C=N1)F)CC(C(=O)O)N)F
InChI
InChI=1S/C8H8F2N2O2/c9-5-2-12-3-6(10)4(5)1-7(11)8(13)14/h2-3,7H,1,11H2,(H,13,14)
InChIKey
ATUNTMWHZQBFDF-UHFFFAOYSA-N
Compound name
2-amino-3-(3,5-difluoropyridin-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

202.05539 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.06267 139.1
[M+Na]+ 225.04461 147.3
[M-H]- 201.04811 137.4
[M+NH4]+ 220.08921 155.7
[M+K]+ 241.01855 144.7
[M+H-H2O]+ 185.05265 130.9
[M+HCOO]- 247.05359 158.1
[M+CH3COO]- 261.06924 185.3
[M+Na-2H]- 223.03006 141.5
[M]+ 202.05484 134.8
[M]- 202.05594 134.8
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

patents stripe