CID 121605129

Methyl 4-amino-3,3-difluorobutanoate hydrochloride

Structural Information

Molecular Formula
C5H9F2NO2
SMILES
COC(=O)CC(CN)(F)F
InChI
InChI=1S/C5H9F2NO2/c1-10-4(9)2-5(6,7)3-8/h2-3,8H2,1H3
InChIKey
GTOQXUGOQDMDDZ-UHFFFAOYSA-N
Compound name
methyl 4-amino-3,3-difluorobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.06013 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06741 128.3
[M+Na]+ 176.04935 135.7
[M-H]- 152.05285 125.7
[M+NH4]+ 171.09395 148.9
[M+K]+ 192.02329 135.6
[M+H-H2O]+ 136.05739 122.2
[M+HCOO]- 198.05833 148.9
[M+CH3COO]- 212.07398 177.2
[M+Na-2H]- 174.03480 133.3
[M]+ 153.05958 125.8
[M]- 153.06068 125.8
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.