CID 104567556

2-[2-(2-methoxyethoxy)ethoxy]ethyl 6-fluoropyridine-2-carboxylate

Structural Information

Molecular Formula
C13H18FNO5
SMILES
COCCOCCOCCOC(=O)C1=NC(=CC=C1)F
InChI
InChI=1S/C13H18FNO5/c1-17-5-6-18-7-8-19-9-10-20-13(16)11-3-2-4-12(14)15-11/h2-4H,5-10H2,1H3
InChIKey
LGWKGDCJONVEHR-UHFFFAOYSA-N
Compound name
2-[2-(2-methoxyethoxy)ethoxy]ethyl 6-fluoropyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1169 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.12418 162.8
[M+Na]+ 310.10612 169.1
[M-H]- 286.10962 163.0
[M+NH4]+ 305.15072 176.9
[M+K]+ 326.08006 168.3
[M+H-H2O]+ 270.11416 153.6
[M+HCOO]- 332.11510 183.9
[M+CH3COO]- 346.13075 199.2
[M+Na-2H]- 308.09157 166.5
[M]+ 287.11635 169.7
[M]- 287.11745 169.7
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.