CID 86594487

(2s,3r)-2-amino-5,5,5-trifluoro-3-methylpentanoic acid

Structural Information

Molecular Formula
C6H10F3NO2
SMILES
C[C@H](CC(F)(F)F)[C@@H](C(=O)O)N
InChI
InChI=1S/C6H10F3NO2/c1-3(2-6(7,8)9)4(10)5(11)12/h3-4H,2,10H2,1H3,(H,11,12)/t3-,4+/m1/s1
InChIKey
IISHLMOFSAYIEX-DMTCNVIQSA-N
Compound name
(2S,3R)-2-amino-5,5,5-trifluoro-3-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

55
Patents

185.06636 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07364 135.9
[M+Na]+ 208.05558 142.1
[M-H]- 184.05908 130.5
[M+NH4]+ 203.10018 154.2
[M+K]+ 224.02952 141.4
[M+H-H2O]+ 168.06362 129.0
[M+HCOO]- 230.06456 151.6
[M+CH3COO]- 244.08021 182.3
[M+Na-2H]- 206.04103 136.8
[M]+ 185.06581 129.3
[M]- 185.06691 129.3
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