CID 79629821

Methyl 2,2-dimethyl-3-[(2,2,2-trifluoroethyl)amino]propanoate

Structural Information

Molecular Formula
C8H14F3NO2
SMILES
CC(C)(CNCC(F)(F)F)C(=O)OC
InChI
InChI=1S/C8H14F3NO2/c1-7(2,6(13)14-3)4-12-5-8(9,10)11/h12H,4-5H2,1-3H3
InChIKey
XAVJQXZIYINIOT-UHFFFAOYSA-N
Compound name
methyl 2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.09766 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10494 150.4
[M+Na]+ 236.08688 155.4
[M+NH4]+ 231.13148 154.1
[M+K]+ 252.06082 152.5
[M-H]- 212.09038 144.0
[M+Na-2H]- 234.07233 150.5
[M]+ 213.09711 148.8
[M]- 213.09821 148.8
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

No patent data available for this compound.