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

24
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 118.7
[M+Na]+ 162.05010 127.8
[M-H]- 138.05360 119.7
[M+NH4]+ 157.09470 135.2
[M+K]+ 178.02404 125.6
[M+H-H2O]+ 122.05814 110.7
[M+HCOO]- 184.05908 139.6
[M+CH3COO]- 198.07473 178.9
[M+Na-2H]- 160.03555 126.3
[M]+ 139.06033 115.9
[M]- 139.06143 115.9
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