CID 121604444

1993314-60-5

Structural Information

Molecular Formula
C11H16F3NO4
SMILES
CC(C)(C)OC(=O)NC1(CC(C1)C(=O)O)C(F)(F)F
InChI
InChI=1S/C11H16F3NO4/c1-9(2,3)19-8(18)15-10(11(12,13)14)4-6(5-10)7(16)17/h6H,4-5H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
FFQBZPGKHWSMOC-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.10315 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11043 165.3
[M+Na]+ 306.09237 169.5
[M-H]- 282.09587 163.5
[M+NH4]+ 301.13697 175.5
[M+K]+ 322.06631 172.0
[M+H-H2O]+ 266.10041 153.9
[M+HCOO]- 328.10135 178.0
[M+CH3COO]- 342.11700 200.4
[M+Na-2H]- 304.07782 166.9
[M]+ 283.10260 169.9
[M]- 283.10370 169.9
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.