CID 64146888

Methyl 2-amino-4,4-difluorobutanoate hydrochloride

Structural Information

Molecular Formula
C5H9F2NO2
SMILES
COC(=O)C(CC(F)F)N
InChI
InChI=1S/C5H9F2NO2/c1-10-5(9)3(8)2-4(6)7/h3-4H,2,8H2,1H3
InChIKey
XPDDUHZHOWSLCC-UHFFFAOYSA-N
Compound name
methyl 2-amino-4,4-difluorobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

153.06013 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06741 129.5
[M+Na]+ 176.04935 136.0
[M-H]- 152.05285 126.8
[M+NH4]+ 171.09395 149.8
[M+K]+ 192.02329 136.4
[M+H-H2O]+ 136.05739 122.8
[M+HCOO]- 198.05833 149.6
[M+CH3COO]- 212.07398 178.7
[M+Na-2H]- 174.03480 131.2
[M]+ 153.05958 126.2
[M]- 153.06068 126.2
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

patents stripe