CID 55293730

3-amino-3-(6-fluoropyridin-3-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C8H9FN2O2
SMILES
C1=CC(=NC=C1C(CC(=O)O)N)F
InChI
InChI=1S/C8H9FN2O2/c9-7-2-1-5(4-11-7)6(10)3-8(12)13/h1-2,4,6H,3,10H2,(H,12,13)
InChIKey
IZBBRUOHWGDAAG-UHFFFAOYSA-N
Compound name
3-amino-3-(6-fluoropyridin-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.0648 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07208 136.8
[M+Na]+ 207.05402 144.0
[M-H]- 183.05752 136.2
[M+NH4]+ 202.09862 153.9
[M+K]+ 223.02796 141.9
[M+H-H2O]+ 167.06206 129.4
[M+HCOO]- 229.06300 156.9
[M+CH3COO]- 243.07865 181.3
[M+Na-2H]- 205.03947 140.6
[M]+ 184.06425 133.3
[M]- 184.06535 133.3
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.