CID 138987305

1-[3-(aminomethyl)-3-fluoroazetidin-1-yl]-2-methylpropan-1-one

Structural Information

Molecular Formula
C8H15FN2O
SMILES
CC(C)C(=O)N1CC(C1)(CN)F
InChI
InChI=1S/C8H15FN2O/c1-6(2)7(12)11-4-8(9,3-10)5-11/h6H,3-5,10H2,1-2H3
InChIKey
BHSVRVKUQPXJDZ-UHFFFAOYSA-N
Compound name
1-[3-(aminomethyl)-3-fluoroazetidin-1-yl]-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.11684 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.12412 143.7
[M+Na]+ 197.10606 148.9
[M-H]- 173.10956 144.1
[M+NH4]+ 192.15066 157.5
[M+K]+ 213.08000 151.2
[M+H-H2O]+ 157.11410 132.5
[M+HCOO]- 219.11504 161.4
[M+CH3COO]- 233.13069 186.7
[M+Na-2H]- 195.09151 145.3
[M]+ 174.11629 148.8
[M]- 174.11739 148.8
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.