CID 61520381

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

Structural Information

Molecular Formula
C9H13FN2O
SMILES
COCCC(C1=CC(=CN=C1)F)N
InChI
InChI=1S/C9H13FN2O/c1-13-3-2-9(11)7-4-8(10)6-12-5-7/h4-6,9H,2-3,11H2,1H3
InChIKey
UCFWSJVKKOOHPA-UHFFFAOYSA-N
Compound name
1-(5-fluoropyridin-3-yl)-3-methoxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.1012 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.10848 138.9
[M+Na]+ 207.09042 146.1
[M-H]- 183.09392 139.3
[M+NH4]+ 202.13502 157.0
[M+K]+ 223.06436 144.2
[M+H-H2O]+ 167.09846 131.0
[M+HCOO]- 229.09940 160.7
[M+CH3COO]- 243.11505 184.8
[M+Na-2H]- 205.07587 143.8
[M]+ 184.10065 137.6
[M]- 184.10175 137.6
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

No patent data available for this compound.