CID 121604584

170462-69-8

Structural Information

Molecular Formula
C12H20F3NO4
SMILES
CC(C)CC(C(=O)O)(C(F)(F)F)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H20F3NO4/c1-7(2)6-11(8(17)18,12(13,14)15)16-9(19)20-10(3,4)5/h7H,6H2,1-5H3,(H,16,19)(H,17,18)
InChIKey
MUJOGMJYEGHPQF-UHFFFAOYSA-N
Compound name
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(trifluoromethyl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.13443 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.14171 163.6
[M+Na]+ 322.12365 168.5
[M-H]- 298.12715 158.5
[M+NH4]+ 317.16825 177.9
[M+K]+ 338.09759 168.5
[M+H-H2O]+ 282.13169 157.1
[M+HCOO]- 344.13263 175.7
[M+CH3COO]- 358.14828 203.1
[M+Na-2H]- 320.10910 165.4
[M]+ 299.13388 161.2
[M]- 299.13498 161.2
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

No patent data available for this compound.