CID 53404017

1283720-61-5

Structural Information

Molecular Formula
C11H18F3NO3
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(CO)C(F)(F)F
InChI
InChI=1S/C11H18F3NO3/c1-9(2,3)18-8(17)15-5-4-10(6-15,7-16)11(12,13)14/h16H,4-7H2,1-3H3
InChIKey
SDHBRGFJKCOGRS-UHFFFAOYSA-N
Compound name
tert-butyl 3-(hydroxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

269.12387 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.13115 157.9
[M+Na]+ 292.11309 164.8
[M-H]- 268.11659 154.8
[M+NH4]+ 287.15769 176.3
[M+K]+ 308.08703 163.5
[M+H-H2O]+ 252.12113 151.5
[M+HCOO]- 314.12207 170.4
[M+CH3COO]- 328.13772 191.3
[M+Na-2H]- 290.09854 160.3
[M]+ 269.12332 153.8
[M]- 269.12442 153.8
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