CID 54594700

Ethyl 2-[(5-fluoropyridin-2-yl)amino]acetate

Structural Information

Molecular Formula
C9H11FN2O2
SMILES
CCOC(=O)CNC1=NC=C(C=C1)F
InChI
InChI=1S/C9H11FN2O2/c1-2-14-9(13)6-12-8-4-3-7(10)5-11-8/h3-5H,2,6H2,1H3,(H,11,12)
InChIKey
BLRPJCSCDVNVJB-UHFFFAOYSA-N
Compound name
ethyl 2-[(5-fluoropyridin-2-yl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.08046 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08774 140.3
[M+Na]+ 221.06968 147.8
[M-H]- 197.07318 141.3
[M+NH4]+ 216.11428 158.0
[M+K]+ 237.04362 146.2
[M+H-H2O]+ 181.07772 132.3
[M+HCOO]- 243.07866 163.2
[M+CH3COO]- 257.09431 186.0
[M+Na-2H]- 219.05513 146.3
[M]+ 198.07991 140.6
[M]- 198.08101 140.6
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.