CID 138989274

Ethyl3-amino-4,4-difluoro-3-methylbutanoate

Structural Information

Molecular Formula
C7H13F2NO2
SMILES
CCOC(=O)CC(C)(C(F)F)N
InChI
InChI=1S/C7H13F2NO2/c1-3-12-5(11)4-7(2,10)6(8)9/h6H,3-4,10H2,1-2H3
InChIKey
UKGYBBQORLOUIR-UHFFFAOYSA-N
Compound name
ethyl 3-amino-4,4-difluoro-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.09143 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09871 137.8
[M+Na]+ 204.08065 144.1
[M-H]- 180.08415 135.0
[M+NH4]+ 199.12525 157.2
[M+K]+ 220.05459 144.0
[M+H-H2O]+ 164.08869 131.4
[M+HCOO]- 226.08963 156.7
[M+CH3COO]- 240.10528 184.2
[M+Na-2H]- 202.06610 140.5
[M]+ 181.09088 135.4
[M]- 181.09198 135.4
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.