CID 123494488

Methyl 2-amino-4,4-difluoro-3-hydroxy-3-methylbutanoate hydrochloride

Structural Information

Molecular Formula
C6H11F2NO3
SMILES
CC(C(C(=O)OC)N)(C(F)F)O
InChI
InChI=1S/C6H11F2NO3/c1-6(11,5(7)8)3(9)4(10)12-2/h3,5,11H,9H2,1-2H3
InChIKey
YMQYENYLWGCKGD-UHFFFAOYSA-N
Compound name
methyl 2-amino-4,4-difluoro-3-hydroxy-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

183.0707 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07798 136.2
[M+Na]+ 206.05992 142.2
[M-H]- 182.06342 132.1
[M+NH4]+ 201.10452 154.6
[M+K]+ 222.03386 142.5
[M+H-H2O]+ 166.06796 130.1
[M+HCOO]- 228.06890 153.2
[M+CH3COO]- 242.08455 181.6
[M+Na-2H]- 204.04537 137.7
[M]+ 183.07015 132.3
[M]- 183.07125 132.3
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