CID 39869138

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

Structural Information

Molecular Formula
C6H10F3NO2
SMILES
COC(=O)CCNCC(F)(F)F
InChI
InChI=1S/C6H10F3NO2/c1-12-5(11)2-3-10-4-6(7,8)9/h10H,2-4H2,1H3
InChIKey
MOQNGAYEXRWODD-UHFFFAOYSA-N
Compound name
methyl 3-(2,2,2-trifluoroethylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

185.06636 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07364 141.3
[M+Na]+ 208.05558 146.9
[M+NH4]+ 203.10018 145.5
[M+K]+ 224.02952 143.4
[M-H]- 184.05908 135.5
[M+Na-2H]- 206.04103 142.0
[M]+ 185.06581 139.8
[M]- 185.06691 139.8
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

patents stripe