CID 138056660

2248296-37-7

Structural Information

Molecular Formula
C11H16F3NO4
SMILES
CC(C)(C)OC(=O)NC(C1CC1)(C(=O)O)C(F)(F)F
InChI
InChI=1S/C11H16F3NO4/c1-9(2,3)19-8(18)15-10(7(16)17,6-4-5-6)11(12,13)14/h6H,4-5H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
CFKOFXIVHZZURM-UHFFFAOYSA-N
Compound name
2-cyclopropyl-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.10315 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11043 151.6
[M+Na]+ 306.09237 158.5
[M-H]- 282.09587 150.8
[M+NH4]+ 301.13697 161.8
[M+K]+ 322.06631 156.1
[M+H-H2O]+ 266.10041 144.5
[M+HCOO]- 328.10135 165.4
[M+CH3COO]- 342.11700 200.2
[M+Na-2H]- 304.07782 156.0
[M]+ 283.10260 151.1
[M]- 283.10370 151.1
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.