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-fluoro-4-pyridinyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

140.07498 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.082256 126.4
[M+Na]+ 163.064198 134.6
[M-H]- 139.067704 127.3
[M+NH4]+ 158.108803 146.4
[M+K]+ 179.038138 132.7
[M+H-H2O]+ 123.072240 119.3
[M+HCOO]- 185.073181 148.7
[M+CH3COO]- 199.088831 176.7
[M+Na-2H]- 161.049646 132.5
[M]+ 140.07443142 123.0
[M]- 140.07552858 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