CID 115267097

Tert-butyl 2-(aminomethyl)-2-(trifluoromethyl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C11H19F3N2O2
SMILES
CC(C)(C)OC(=O)N1CCCC1(CN)C(F)(F)F
InChI
InChI=1S/C11H19F3N2O2/c1-9(2,3)18-8(17)16-6-4-5-10(16,7-15)11(12,13)14/h4-7,15H2,1-3H3
InChIKey
VMUITAFSDWVMHR-UHFFFAOYSA-N
Compound name
tert-butyl 2-(aminomethyl)-2-(trifluoromethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.13986 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.14714 158.4
[M+Na]+ 291.12908 164.9
[M-H]- 267.13258 156.1
[M+NH4]+ 286.17368 177.0
[M+K]+ 307.10302 163.7
[M+H-H2O]+ 251.13712 151.4
[M+HCOO]- 313.13806 172.6
[M+CH3COO]- 327.15371 196.0
[M+Na-2H]- 289.11453 160.5
[M]+ 268.13931 152.9
[M]- 268.14041 152.9
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.