CID 53401930

1454913-78-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

271.10315 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.11043 156.8
[M+Na]+ 294.09237 162.1
[M-H]- 270.09587 151.6
[M+NH4]+ 289.13697 172.1
[M+K]+ 310.06631 161.8
[M+H-H2O]+ 254.10041 149.7
[M+HCOO]- 316.10135 171.0
[M+CH3COO]- 330.11700 196.6
[M+Na-2H]- 292.07782 158.1
[M]+ 271.10260 154.1
[M]- 271.10370 154.1
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

patents stripe