CID 121604324

1993323-08-2

Structural Information

Molecular Formula
C12H16F3NO4
SMILES
CC(C)(C)OC(=O)N1CC2(CC1(C2)C(=O)O)C(F)(F)F
InChI
InChI=1S/C12H16F3NO4/c1-9(2,3)20-8(19)16-6-10(12(13,14)15)4-11(16,5-10)7(17)18/h4-6H2,1-3H3,(H,17,18)
InChIKey
NXGZOBZKGOYQFP-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trifluoromethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.10315 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.11043 181.5
[M+Na]+ 318.09237 187.4
[M-H]- 294.09587 176.6
[M+NH4]+ 313.13697 199.3
[M+K]+ 334.06631 188.4
[M+H-H2O]+ 278.10041 174.7
[M+HCOO]- 340.10135 188.6
[M+CH3COO]- 354.11700 201.1
[M+Na-2H]- 316.07782 186.1
[M]+ 295.10260 192.2
[M]- 295.10370 192.2
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.