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
trans-(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]+ 140.068156 125.4
[M+Na]+ 162.050098 132.1
[M-H]- 138.053604 125.0
[M+NH4]+ 157.094703 140.3
[M+K]+ 178.024038 133.7
[M+H-H2O]+ 122.058140 113.5
[M+HCOO]- 184.059081 143.5
[M+CH3COO]- 198.074731 178.8
[M+Na-2H]- 160.035546 129.8
[M]+ 139.06033142 126.5
[M]- 139.06142858 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.