CID 64146888

Methyl 2-amino-4,4-difluorobutanoate hydrochloride

Structural Information

Molecular Formula
C5H9F2NO2
SMILES
COC(=O)C(CC(F)F)N
InChI
InChI=1S/C5H9F2NO2/c1-10-5(9)3(8)2-4(6)7/h3-4H,2,8H2,1H3
InChIKey
XPDDUHZHOWSLCC-UHFFFAOYSA-N
Compound name
methyl 2-amino-4,4-difluorobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

153.06013 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.067406 129.5
[M+Na]+ 176.049348 136.0
[M-H]- 152.052854 126.8
[M+NH4]+ 171.093953 149.8
[M+K]+ 192.023288 136.4
[M+H-H2O]+ 136.057390 122.8
[M+HCOO]- 198.058331 149.6
[M+CH3COO]- 212.073981 178.7
[M+Na-2H]- 174.034796 131.2
[M]+ 153.05958142 126.2
[M]- 153.06067858 126.2
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

patents stripe