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

213
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 127.1
[M+Na]+ 179.04026 134.1
[M-H]- 155.04376 123.2
[M+NH4]+ 174.08486 147.1
[M+K]+ 195.01420 133.3
[M+H-H2O]+ 139.04830 119.8
[M+HCOO]- 201.04924 147.6
[M+CH3COO]- 215.06489 179.2
[M+Na-2H]- 177.02571 132.1
[M]+ 156.05049 120.5
[M]- 156.05159 120.5
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