CID 122703542

2050910-08-0

Structural Information

Molecular Formula
C10H16F3NO4
SMILES
CC(C)(C)OC(=O)N(C)C(CC(F)(F)F)C(=O)O
InChI
InChI=1S/C10H16F3NO4/c1-9(2,3)18-8(17)14(4)6(7(15)16)5-10(11,12)13/h6H,5H2,1-4H3,(H,15,16)
InChIKey
FTMMRODRMJIILF-UHFFFAOYSA-N
Compound name
4,4,4-trifluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

271.10315 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.11043 155.3
[M+Na]+ 294.09237 160.9
[M-H]- 270.09587 151.7
[M+NH4]+ 289.13697 171.3
[M+K]+ 310.06631 162.1
[M+H-H2O]+ 254.10041 148.3
[M+HCOO]- 316.10135 170.1
[M+CH3COO]- 330.11700 200.0
[M+Na-2H]- 292.07782 156.1
[M]+ 271.10260 154.0
[M]- 271.10370 154.0
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