CID 165743972

Methyl 2-amino-4,4-difluoro-3,3-dimethylbutanoate hydrochloride

Structural Information

Molecular Formula
C7H13F2NO2
SMILES
CC(C)(C(C(=O)OC)N)C(F)F
InChI
InChI=1S/C7H13F2NO2/c1-7(2,6(8)9)4(10)5(11)12-3/h4,6H,10H2,1-3H3
InChIKey
VQHDVZZZWYLPGT-UHFFFAOYSA-N
Compound name
methyl 2-amino-4,4-difluoro-3,3-dimethylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.09143 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.098706 137.6
[M+Na]+ 204.080648 143.7
[M-H]- 180.084154 134.8
[M+NH4]+ 199.125253 156.9
[M+K]+ 220.054588 144.1
[M+H-H2O]+ 164.088690 131.3
[M+HCOO]- 226.089631 155.5
[M+CH3COO]- 240.105281 185.1
[M+Na-2H]- 202.066096 139.1
[M]+ 181.09088142 134.5
[M]- 181.09197858 134.5
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.