CID 2735993

1-benzyl-3-(trifluoroacetamido)pyrrolidine

Structural Information

Molecular Formula
C13H15F3N2O
SMILES
C1CN(CC1NC(=O)C(F)(F)F)CC2=CC=CC=C2
InChI
InChI=1S/C13H15F3N2O/c14-13(15,16)12(19)17-11-6-7-18(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,17,19)
InChIKey
HFZWIEKMCFJKFB-UHFFFAOYSA-N
Compound name
N-(1-benzylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

272.11365 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12093 158.9
[M+Na]+ 295.10287 164.4
[M-H]- 271.10637 159.7
[M+NH4]+ 290.14747 174.9
[M+K]+ 311.07681 160.8
[M+H-H2O]+ 255.11091 148.7
[M+HCOO]- 317.11185 175.8
[M+CH3COO]- 331.12750 197.4
[M+Na-2H]- 293.08832 160.5
[M]+ 272.11310 151.7
[M]- 272.11420 151.7
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