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]+ 175.124116 143.7
[M+Na]+ 197.106058 148.9
[M-H]- 173.109564 144.1
[M+NH4]+ 192.150663 157.5
[M+K]+ 213.079998 151.2
[M+H-H2O]+ 157.114100 132.5
[M+HCOO]- 219.115041 161.4
[M+CH3COO]- 233.130691 186.7
[M+Na-2H]- 195.091506 145.3
[M]+ 174.11629142 148.8
[M]- 174.11738858 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.