CID 4613179

Pyrrolidine-1-carboxylic acid (3-trifluoromethyl-phenyl)-amide

Structural Information

Molecular Formula
C12H13F3N2O
SMILES
C1CCN(C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C12H13F3N2O/c13-12(14,15)9-4-3-5-10(8-9)16-11(18)17-6-1-2-7-17/h3-5,8H,1-2,6-7H2,(H,16,18)
InChIKey
SJVQNVIOFDZPLA-UHFFFAOYSA-N
Compound name
N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

258.098 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10528 154.5
[M+Na]+ 281.08722 160.6
[M-H]- 257.09072 155.6
[M+NH4]+ 276.13182 171.2
[M+K]+ 297.06116 157.2
[M+H-H2O]+ 241.09526 144.6
[M+HCOO]- 303.09620 171.8
[M+CH3COO]- 317.11185 193.8
[M+Na-2H]- 279.07267 156.7
[M]+ 258.09745 146.9
[M]- 258.09855 146.9
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