CID 71742751

1056467-60-7

Structural Information

Molecular Formula
C11H18F3NO4
SMILES
CC(C)(C)OC(=O)N[C@@H](CCCC(F)(F)F)C(=O)O
InChI
InChI=1S/C11H18F3NO4/c1-10(2,3)19-9(18)15-7(8(16)17)5-4-6-11(12,13)14/h7H,4-6H2,1-3H3,(H,15,18)(H,16,17)/t7-/m0/s1
InChIKey
IUCAIZFOVHKRTO-ZETCQYMHSA-N
Compound name
(2S)-6,6,6-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

285.1188 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.126076 161.5
[M+Na]+ 308.108018 166.4
[M-H]- 284.111524 156.1
[M+NH4]+ 303.152623 176.2
[M+K]+ 324.081958 165.9
[M+H-H2O]+ 268.116060 154.2
[M+HCOO]- 330.117001 175.4
[M+CH3COO]- 344.132651 199.5
[M+Na-2H]- 306.093466 162.3
[M]+ 285.11825142 159.2
[M]- 285.11934858 159.2
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