CID 13050369

4-amino-5,5-difluoropentanoic acid hydrochloride

Structural Information

Molecular Formula
C5H9F2NO2
SMILES
C(CC(=O)O)C(C(F)F)N
InChI
InChI=1S/C5H9F2NO2/c6-5(7)3(8)1-2-4(9)10/h3,5H,1-2,8H2,(H,9,10)
InChIKey
OONKUSOSFMPOHE-UHFFFAOYSA-N
Compound name
4-amino-5,5-difluoropentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

153.06013 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.067406 129.9
[M+Na]+ 176.049348 135.8
[M-H]- 152.052854 125.7
[M+NH4]+ 171.093953 149.4
[M+K]+ 192.023288 135.4
[M+H-H2O]+ 136.057390 123.4
[M+HCOO]- 198.058331 148.4
[M+CH3COO]- 212.073981 176.8
[M+Na-2H]- 174.034796 131.0
[M]+ 153.05958142 124.7
[M]- 153.06067858 124.7
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