CID 10487055

Methyl 2-amino-3,3-difluoro-2-methylpropanoate

Structural Information

Molecular Formula
C5H9F2NO2
SMILES
CC(C(F)F)(C(=O)OC)N
InChI
InChI=1S/C5H9F2NO2/c1-5(8,3(6)7)4(9)10-2/h3H,8H2,1-2H3
InChIKey
NBWQGKYKXCGCOG-UHFFFAOYSA-N
Compound name
methyl 2-amino-3,3-difluoro-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.06013 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.067406 128.3
[M+Na]+ 176.049348 135.5
[M-H]- 152.052854 125.8
[M+NH4]+ 171.093953 148.8
[M+K]+ 192.023288 135.9
[M+H-H2O]+ 136.057390 122.3
[M+HCOO]- 198.058331 147.9
[M+CH3COO]- 212.073981 178.1
[M+Na-2H]- 174.034796 132.1
[M]+ 153.05958142 125.2
[M]- 153.06067858 125.2
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

No patent data available for this compound.