CID 50989630

1-(trifluoromethyl)cyclobutan-1-amine hydrochloride

Structural Information

Molecular Formula
C5H8F3N
SMILES
C1CC(C1)(C(F)(F)F)N
InChI
InChI=1S/C5H8F3N/c6-5(7,8)4(9)2-1-3-4/h1-3,9H2
InChIKey
UYHQDFQKVUGCAQ-UHFFFAOYSA-N
Compound name
1-(trifluoromethyl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

243
Patents

139.06088 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.06816 126.7
[M+Na]+ 162.05010 133.4
[M-H]- 138.05360 126.4
[M+NH4]+ 157.09470 143.3
[M+K]+ 178.02404 135.0
[M+H-H2O]+ 122.05814 115.9
[M+HCOO]- 184.05908 144.8
[M+CH3COO]- 198.07473 177.3
[M+Na-2H]- 160.03555 132.8
[M]+ 139.06033 127.7
[M]- 139.06143 127.7
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