CID 52421051

1909287-99-5

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-/m1/s1
InChIKey
MEOSMVOYORVSJA-QWWZWVQMSA-N
Compound name
(1R,2R)-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 137.6
[M+Na]+ 162.05010 140.8
[M+NH4]+ 157.09470 140.2
[M+K]+ 178.02404 137.9
[M-H]- 138.05360 132.2
[M+Na-2H]- 160.03555 137.7
[M]+ 139.06033 135.1
[M]- 139.06143 135.1
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.