CID 3022066

Brn 6524724

Structural Information

Molecular Formula
C14H16F3NO2
SMILES
CCCN1C(=O)CCC1(C2=CC(=CC=C2)C(F)(F)F)O
InChI
InChI=1S/C14H16F3NO2/c1-2-8-18-12(19)6-7-13(18,20)10-4-3-5-11(9-10)14(15,16)17/h3-5,9,20H,2,6-8H2,1H3
InChIKey
SQCXPRWFMATVNS-UHFFFAOYSA-N
Compound name
5-hydroxy-1-propyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.1133 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.12058 169.1
[M+Na]+ 310.10252 176.8
[M+NH4]+ 305.14712 174.8
[M+K]+ 326.07646 171.6
[M-H]- 286.10602 165.9
[M+Na-2H]- 308.08797 172.7
[M]+ 287.11275 169.0
[M]- 287.11385 169.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.