CID 55295049

1-(3-fluoropyridin-4-yl)ethan-1-amine

Structural Information

Molecular Formula
C7H9FN2
SMILES
CC(C1=C(C=NC=C1)F)N
InChI
InChI=1S/C7H9FN2/c1-5(9)6-2-3-10-4-7(6)8/h2-5H,9H2,1H3
InChIKey
CKEIEOLXLLJFSA-UHFFFAOYSA-N
Compound name
1-(3-fluoropyridin-4-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

140.07498 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.08226 126.4
[M+Na]+ 163.06420 134.6
[M-H]- 139.06770 127.3
[M+NH4]+ 158.10880 146.4
[M+K]+ 179.03814 132.7
[M+H-H2O]+ 123.07224 119.3
[M+HCOO]- 185.07318 148.7
[M+CH3COO]- 199.08883 176.7
[M+Na-2H]- 161.04965 132.5
[M]+ 140.07443 123.0
[M]- 140.07553 123.0
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