CID 73553953

Ethyl 2,2-difluoro-3-(methylamino)propanoate hydrochloride

Structural Information

Molecular Formula
C6H11F2NO2
SMILES
CCOC(=O)C(CNC)(F)F
InChI
InChI=1S/C6H11F2NO2/c1-3-11-5(10)6(7,8)4-9-2/h9H,3-4H2,1-2H3
InChIKey
QQGZAZXFFVPRKU-UHFFFAOYSA-N
Compound name
ethyl 2,2-difluoro-3-(methylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.07579 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.08307 132.6
[M+Na]+ 190.06501 139.6
[M-H]- 166.06851 130.4
[M+NH4]+ 185.10961 152.9
[M+K]+ 206.03895 139.6
[M+H-H2O]+ 150.07305 126.3
[M+HCOO]- 212.07399 153.5
[M+CH3COO]- 226.08964 180.9
[M+Na-2H]- 188.05046 138.2
[M]+ 167.07524 131.6
[M]- 167.07634 131.6
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.