CID 60921367

Methyl 2-[(2,2-difluoroethyl)amino]acetate

Structural Information

Molecular Formula
C5H9F2NO2
SMILES
COC(=O)CNCC(F)F
InChI
InChI=1S/C5H9F2NO2/c1-10-5(9)3-8-2-4(6)7/h4,8H,2-3H2,1H3
InChIKey
PJCUBQGBOMXOKY-UHFFFAOYSA-N
Compound name
methyl 2-(2,2-difluoroethylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.06013 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.067406 128.6
[M+Na]+ 176.049348 135.3
[M-H]- 152.052854 126.3
[M+NH4]+ 171.093953 149.3
[M+K]+ 192.023288 135.7
[M+H-H2O]+ 136.057390 121.8
[M+HCOO]- 198.058331 150.3
[M+CH3COO]- 212.073981 178.5
[M+Na-2H]- 174.034796 132.7
[M]+ 153.05958142 127.0
[M]- 153.06067858 127.0
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.