CID 138404128

2-[(6-fluoropyridin-3-yl)oxy]ethan-1-aminedihydrochloride

Structural Information

Molecular Formula
C7H9FN2O
SMILES
C1=CC(=NC=C1OCCN)F
InChI
InChI=1S/C7H9FN2O/c8-7-2-1-6(5-10-7)11-4-3-9/h1-2,5H,3-4,9H2
InChIKey
DAODELUBEBIGGI-UHFFFAOYSA-N
Compound name
2-(6-fluoropyridin-3-yl)oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

156.06989 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.07717 129.0
[M+Na]+ 179.05911 137.3
[M-H]- 155.06261 129.7
[M+NH4]+ 174.10371 148.3
[M+K]+ 195.03305 135.4
[M+H-H2O]+ 139.06715 121.5
[M+HCOO]- 201.06809 152.5
[M+CH3COO]- 215.08374 177.9
[M+Na-2H]- 177.04456 136.3
[M]+ 156.06934 127.6
[M]- 156.07044 127.6
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

patents stripe