CID 61499791

Methyl 2-[(2,2-difluoroethyl)amino]propanoate hydrochloride

Structural Information

Molecular Formula
C6H11F2NO2
SMILES
CC(C(=O)OC)NCC(F)F
InChI
InChI=1S/C6H11F2NO2/c1-4(6(10)11-2)9-3-5(7)8/h4-5,9H,3H2,1-2H3
InChIKey
UQXPNOHXGYWNOO-UHFFFAOYSA-N
Compound name
methyl 2-(2,2-difluoroethylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.07579 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.08307 133.7
[M+Na]+ 190.06501 139.8
[M-H]- 166.06851 131.4
[M+NH4]+ 185.10961 153.8
[M+K]+ 206.03895 140.4
[M+H-H2O]+ 150.07305 126.9
[M+HCOO]- 212.07399 154.1
[M+CH3COO]- 226.08964 182.4
[M+Na-2H]- 188.05046 136.0
[M]+ 167.07524 131.9
[M]- 167.07634 131.9
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.