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 144.0
[M+Na]+ 236.08688 150.7
[M-H]- 212.09038 140.4
[M+NH4]+ 231.13148 162.5
[M+K]+ 252.06082 150.3
[M+H-H2O]+ 196.09492 137.1
[M+HCOO]- 258.09586 161.6
[M+CH3COO]- 272.11151 189.6
[M+Na-2H]- 234.07233 148.8
[M]+ 213.09711 141.8
[M]- 213.09821 141.8
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.