CID 2782814

2-amino-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid hydrochloride

Structural Information

Molecular Formula
C5H8F3NO3
SMILES
CC(C(C(=O)O)N)(C(F)(F)F)O
InChI
InChI=1S/C5H8F3NO3/c1-4(12,5(6,7)8)2(9)3(10)11/h2,12H,9H2,1H3,(H,10,11)
InChIKey
RSCUBJJIMXDWHW-UHFFFAOYSA-N
Compound name
2-amino-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.04562 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.05290 133.3
[M+Na]+ 210.03484 139.9
[M-H]- 186.03834 126.8
[M+NH4]+ 205.07944 150.8
[M+K]+ 226.00878 139.1
[M+H-H2O]+ 170.04288 127.2
[M+HCOO]- 232.04382 147.4
[M+CH3COO]- 246.05947 178.4
[M+Na-2H]- 208.02029 136.4
[M]+ 187.04507 125.8
[M]- 187.04617 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.