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]+ 182.09871 140.3
[M+Na]+ 204.08065 145.8
[M+NH4]+ 199.12525 145.0
[M+K]+ 220.05459 143.9
[M-H]- 180.08415 135.2
[M+Na-2H]- 202.06610 140.5
[M]+ 181.09088 139.0
[M]- 181.09198 139.0
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.