CID 61520340

1-(5-fluoropyridin-3-yl)-3-methylbutan-1-amine

Structural Information

Molecular Formula
C10H15FN2
SMILES
CC(C)CC(C1=CC(=CN=C1)F)N
InChI
InChI=1S/C10H15FN2/c1-7(2)3-10(12)8-4-9(11)6-13-5-8/h4-7,10H,3,12H2,1-2H3
InChIKey
UQLHFIJNGMDKDS-UHFFFAOYSA-N
Compound name
1-(5-fluoro-3-pyridinyl)-3-methylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.12193 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.129206 140.7
[M+Na]+ 205.111148 147.4
[M-H]- 181.114654 141.2
[M+NH4]+ 200.155753 158.9
[M+K]+ 221.085088 145.2
[M+H-H2O]+ 165.119190 133.1
[M+HCOO]- 227.120131 161.0
[M+CH3COO]- 241.135781 186.7
[M+Na-2H]- 203.096596 144.0
[M]+ 182.12138142 137.8
[M]- 182.12247858 137.8
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.