CID 131187894

2408936-86-5

Structural Information

Molecular Formula
C8H9FN2O2
SMILES
C1=CN=C(C=C1C[C@@H](C(=O)O)N)F
InChI
InChI=1S/C8H9FN2O2/c9-7-4-5(1-2-11-7)3-6(10)8(12)13/h1-2,4,6H,3,10H2,(H,12,13)/t6-/m0/s1
InChIKey
AEAJWSPHEXXKSO-LURJTMIESA-N
Compound name
(2S)-2-amino-3-(2-fluoropyridin-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.0648 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07208 137.2
[M+Na]+ 207.05402 146.7
[M+NH4]+ 202.09862 143.1
[M+K]+ 223.02796 142.9
[M-H]- 183.05752 136.0
[M+Na-2H]- 205.03947 141.5
[M]+ 184.06425 137.7
[M]- 184.06535 137.7
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.