CID 20118971

N-(2,2,2-trifluoroethyl)cyclopropanamine hydrochloride

Structural Information

Molecular Formula
C5H8F3N
SMILES
C1CC1NCC(F)(F)F
InChI
InChI=1S/C5H8F3N/c6-5(7,8)3-9-4-1-2-4/h4,9H,1-3H2
InChIKey
ZANCPHXRLGTWAN-UHFFFAOYSA-N
Compound name
N-(2,2,2-trifluoroethyl)cyclopropanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

139.06088 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.06816 132.4
[M+Na]+ 162.05010 139.8
[M+NH4]+ 157.09470 138.8
[M+K]+ 178.02404 137.1
[M-H]- 138.05360 135.3
[M+Na-2H]- 160.03555 137.7
[M]+ 139.06033 134.8
[M]- 139.06143 134.8
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

patents stripe