CID 91755151

1260761-15-6

Structural Information

Molecular Formula
C12H18F3NO4
SMILES
CC1(CN(CC1C(=O)O)C(=O)OC(C)(C)C)C(F)(F)F
InChI
InChI=1S/C12H18F3NO4/c1-10(2,3)20-9(19)16-5-7(8(17)18)11(4,6-16)12(13,14)15/h7H,5-6H2,1-4H3,(H,17,18)
InChIKey
VJHZYPGXOSVREB-UHFFFAOYSA-N
Compound name
4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1188 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12608 161.4
[M+Na]+ 320.10802 168.8
[M-H]- 296.11152 158.7
[M+NH4]+ 315.15262 178.9
[M+K]+ 336.08196 167.9
[M+H-H2O]+ 280.11606 155.7
[M+HCOO]- 342.11700 173.1
[M+CH3COO]- 356.13265 197.6
[M+Na-2H]- 318.09347 162.2
[M]+ 297.11825 158.3
[M]- 297.11935 158.3
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.