CID 145876199

[1-(3-fluoropyridin-4-yl)cyclobutyl]methanamine

Structural Information

Molecular Formula
C10H13FN2
SMILES
C1CC(C1)(CN)C2=C(C=NC=C2)F
InChI
InChI=1S/C10H13FN2/c11-9-6-13-5-2-8(9)10(7-12)3-1-4-10/h2,5-6H,1,3-4,7,12H2
InChIKey
CLSWJQMSVDQEKW-UHFFFAOYSA-N
Compound name
[1-(3-fluoro-4-pyridinyl)cyclobutyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.10628 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.113556 138.6
[M+Na]+ 203.095498 145.2
[M-H]- 179.099004 142.2
[M+NH4]+ 198.140103 152.3
[M+K]+ 219.069438 145.3
[M+H-H2O]+ 163.103540 126.1
[M+HCOO]- 225.104481 159.2
[M+CH3COO]- 239.120131 185.9
[M+Na-2H]- 201.080946 144.8
[M]+ 180.10573142 143.1
[M]- 180.10682858 143.1
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.