CID 131389113

(2e)-3-(5-fluoropyridin-2-yl)prop-2-en-1-amine dihydrochloride

Structural Information

Molecular Formula
C8H9FN2
SMILES
C1=CC(=NC=C1F)/C=C/CN
InChI
InChI=1S/C8H9FN2/c9-7-3-4-8(11-6-7)2-1-5-10/h1-4,6H,5,10H2/b2-1+
InChIKey
HTEPEAFOVMPLKJ-OWOJBTEDSA-N
Compound name
(E)-3-(5-fluoropyridin-2-yl)prop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.07498 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.08226 129.5
[M+Na]+ 175.06420 137.9
[M-H]- 151.06770 130.1
[M+NH4]+ 170.10880 149.0
[M+K]+ 191.03814 134.7
[M+H-H2O]+ 135.07224 122.2
[M+HCOO]- 197.07318 152.7
[M+CH3COO]- 211.08883 177.3
[M+Na-2H]- 173.04965 136.3
[M]+ 152.07443 126.3
[M]- 152.07553 126.3
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.