CID 50989715

3-(trifluoromethyl)cyclobutan-1-amine hydrochloride

Structural Information

Molecular Formula
C5H8F3N
SMILES
C1C(CC1N)C(F)(F)F
InChI
InChI=1S/C5H8F3N/c6-5(7,8)3-1-4(9)2-3/h3-4H,1-2,9H2
InChIKey
MJHSTECNTRJFSB-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
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

literature stripe

Patent stripe

patents stripe