CID 137935445

Ethyl 4,4-difluoro-3-(methylamino)butanoate

Structural Information

Molecular Formula
C7H13F2NO2
SMILES
CCOC(=O)CC(C(F)F)NC
InChI
InChI=1S/C7H13F2NO2/c1-3-12-6(11)4-5(10-2)7(8)9/h5,7,10H,3-4H2,1-2H3
InChIKey
PVYWLDCJYAWMGT-UHFFFAOYSA-N
Compound name
ethyl 4,4-difluoro-3-(methylamino)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.09143 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09871 140.2
[M+Na]+ 204.08065 146.3
[M+NH4]+ 199.12525 145.3
[M+K]+ 220.05459 143.0
[M-H]- 180.08415 135.9
[M+Na-2H]- 202.06610 141.0
[M]+ 181.09088 139.2
[M]- 181.09198 139.2
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

No patent data available for this compound.