CID 10487055

Methyl 2-amino-3,3-difluoro-2-methylpropanoate

Structural Information

Molecular Formula
C5H9F2NO2
SMILES
CC(C(F)F)(C(=O)OC)N
InChI
InChI=1S/C5H9F2NO2/c1-5(8,3(6)7)4(9)10-2/h3H,8H2,1-2H3
InChIKey
NBWQGKYKXCGCOG-UHFFFAOYSA-N
Compound name
methyl 2-amino-3,3-difluoro-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.06013 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06741 128.3
[M+Na]+ 176.04935 135.5
[M-H]- 152.05285 125.8
[M+NH4]+ 171.09395 148.8
[M+K]+ 192.02329 135.9
[M+H-H2O]+ 136.05739 122.3
[M+HCOO]- 198.05833 147.9
[M+CH3COO]- 212.07398 178.1
[M+Na-2H]- 174.03480 132.1
[M]+ 153.05958 125.2
[M]- 153.06068 125.2
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.