CID 54594897

Methyl 2-[(6-fluoropyridin-2-yl)amino]acetate

Structural Information

Molecular Formula
C8H9FN2O2
SMILES
COC(=O)CNC1=NC(=CC=C1)F
InChI
InChI=1S/C8H9FN2O2/c1-13-8(12)5-10-7-4-2-3-6(9)11-7/h2-4H,5H2,1H3,(H,10,11)
InChIKey
JSZRDNBBEMPWGQ-UHFFFAOYSA-N
Compound name
methyl 2-[(6-fluoro-2-pyridinyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.0648 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.072076 135.6
[M+Na]+ 207.054018 143.6
[M-H]- 183.057524 136.8
[M+NH4]+ 202.098623 153.9
[M+K]+ 223.027958 142.2
[M+H-H2O]+ 167.062060 127.8
[M+HCOO]- 229.063001 158.9
[M+CH3COO]- 243.078651 182.9
[M+Na-2H]- 205.039466 142.2
[M]+ 184.06425142 135.6
[M]- 184.06534858 135.6
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.