CID 138046473

2248417-16-3

Structural Information

Molecular Formula
C11H18F3NO4
SMILES
CC(C)C(C(=O)O)(C(F)(F)F)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H18F3NO4/c1-6(2)10(7(16)17,11(12,13)14)15-8(18)19-9(3,4)5/h6H,1-5H3,(H,15,18)(H,16,17)
InChIKey
ODKSBJPBOVJHKZ-UHFFFAOYSA-N
Compound name
3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(trifluoromethyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1188 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.126076 158.9
[M+Na]+ 308.108018 164.2
[M-H]- 284.111524 154.0
[M+NH4]+ 303.152623 173.8
[M+K]+ 324.081958 164.4
[M+H-H2O]+ 268.116060 152.5
[M+HCOO]- 330.117001 171.3
[M+CH3COO]- 344.132651 200.1
[M+Na-2H]- 306.093466 161.2
[M]+ 285.11825142 156.1
[M]- 285.11934858 156.1
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.