CID 229755

N-(2-aminoethyl)-2,2,2-trifluoroacetamide

Structural Information

Molecular Formula
C4H7F3N2O
SMILES
C(CNC(=O)C(F)(F)F)N
InChI
InChI=1S/C4H7F3N2O/c5-4(6,7)3(10)9-2-1-8/h1-2,8H2,(H,9,10)
InChIKey
ZMBJWQJITKNQAY-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

156.05104 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.05832 131.1
[M+Na]+ 179.04026 136.0
[M+NH4]+ 174.08486 135.5
[M+K]+ 195.01420 133.3
[M-H]- 155.04376 125.9
[M+Na-2H]- 177.02571 132.2
[M]+ 156.05049 129.6
[M]- 156.05159 129.6
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