CID 84716493

Methyl2,2-difluoro-3-(methylamino)propanoatehydrochloride

Structural Information

Molecular Formula
C5H9F2NO2
SMILES
CNCC(C(=O)OC)(F)F
InChI
InChI=1S/C5H9F2NO2/c1-8-3-5(6,7)4(9)10-2/h8H,3H2,1-2H3
InChIKey
AKGIHJFDTXVPRM-UHFFFAOYSA-N
Compound name
methyl 2,2-difluoro-3-(methylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.06013 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06741 127.9
[M+Na]+ 176.04935 135.2
[M-H]- 152.05285 125.8
[M+NH4]+ 171.09395 148.7
[M+K]+ 192.02329 135.6
[M+H-H2O]+ 136.05739 121.8
[M+HCOO]- 198.05833 149.1
[M+CH3COO]- 212.07398 177.9
[M+Na-2H]- 174.03480 134.0
[M]+ 153.05958 126.4
[M]- 153.06068 126.4
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.