CID 52421053

2307778-24-9

Structural Information

Molecular Formula
C5H8F3N
SMILES
C1C[C@@H]([C@H]1C(F)(F)F)N
InChI
InChI=1S/C5H8F3N/c6-5(7,8)3-1-2-4(3)9/h3-4H,1-2,9H2/t3-,4-/m0/s1
InChIKey
MEOSMVOYORVSJA-IMJSIDKUSA-N
Compound name
(1S,2S)-2-(trifluoromethyl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.06088 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.06816 125.4
[M+Na]+ 162.05010 132.1
[M-H]- 138.05360 125.0
[M+NH4]+ 157.09470 140.3
[M+K]+ 178.02404 133.7
[M+H-H2O]+ 122.05814 113.5
[M+HCOO]- 184.05908 143.5
[M+CH3COO]- 198.07473 178.8
[M+Na-2H]- 160.03555 129.8
[M]+ 139.06033 126.5
[M]- 139.06143 126.5
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.