CID 55266035

3-(5-fluoropyridin-3-yl)propan-1-amine dihydrochloride

Structural Information

Molecular Formula
C8H11FN2
SMILES
C1=C(C=NC=C1F)CCCN
InChI
InChI=1S/C8H11FN2/c9-8-4-7(2-1-3-10)5-11-6-8/h4-6H,1-3,10H2
InChIKey
CQDAYVXVRPGUTM-UHFFFAOYSA-N
Compound name
3-(5-fluoro-3-pyridinyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

154.09062 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.097896 130.5
[M+Na]+ 177.079838 138.5
[M-H]- 153.083344 131.0
[M+NH4]+ 172.124443 149.9
[M+K]+ 193.053778 135.9
[M+H-H2O]+ 137.087880 123.0
[M+HCOO]- 199.088821 153.5
[M+CH3COO]- 213.104471 178.9
[M+Na-2H]- 175.065286 137.3
[M]+ 154.09007142 128.0
[M]- 154.09116858 128.0
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