CID 146746693

Methyl 4,4,4-trifluoro-2-(methylamino)butanoate hydrochloride

Structural Information

Molecular Formula
C6H10F3NO2
SMILES
CNC(CC(F)(F)F)C(=O)OC
InChI
InChI=1S/C6H10F3NO2/c1-10-4(5(11)12-2)3-6(7,8)9/h4,10H,3H2,1-2H3
InChIKey
RMDNSHGSMRDWMP-UHFFFAOYSA-N
Compound name
methyl 4,4,4-trifluoro-2-(methylamino)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.06636 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07364 135.3
[M+Na]+ 208.05558 142.2
[M-H]- 184.05908 131.8
[M+NH4]+ 203.10018 154.8
[M+K]+ 224.02952 142.3
[M+H-H2O]+ 168.06362 128.1
[M+HCOO]- 230.06456 154.1
[M+CH3COO]- 244.08021 183.9
[M+Na-2H]- 206.04103 139.0
[M]+ 185.06581 132.2
[M]- 185.06691 132.2
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.