CID 91647509

Tert-butyl 1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylate

Structural Information

Molecular Formula
C11H18F3NO2
SMILES
CC(C)(C)OC(=O)C1CCN(C1)CC(F)(F)F
InChI
InChI=1S/C11H18F3NO2/c1-10(2,3)17-9(16)8-4-5-15(6-8)7-11(12,13)14/h8H,4-7H2,1-3H3
InChIKey
LTOQAOLLIKVIKG-UHFFFAOYSA-N
Compound name
tert-butyl 1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

253.12897 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.13625 155.9
[M+Na]+ 276.11819 162.4
[M-H]- 252.12169 153.9
[M+NH4]+ 271.16279 173.6
[M+K]+ 292.09213 161.2
[M+H-H2O]+ 236.12623 148.1
[M+HCOO]- 298.12717 169.7
[M+CH3COO]- 312.14282 192.9
[M+Na-2H]- 274.10364 157.1
[M]+ 253.12842 151.9
[M]- 253.12952 151.9
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

patents stripe