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-fluoropyridin-4-yl)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]+ 181.11356 138.6
[M+Na]+ 203.09550 145.2
[M-H]- 179.09900 142.2
[M+NH4]+ 198.14010 152.3
[M+K]+ 219.06944 145.3
[M+H-H2O]+ 163.10354 126.1
[M+HCOO]- 225.10448 159.2
[M+CH3COO]- 239.12013 185.9
[M+Na-2H]- 201.08095 144.8
[M]+ 180.10573 143.1
[M]- 180.10683 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.