CID 3044238

Brn 1490773

Structural Information

Molecular Formula

C₁₃H₁₄F₃NO₂

SMILES

CCN1C(=O)CCC1(C2=CC(=CC=C2)C(F)(F)F)O

InChI

InChI=1S/C13H14F3NO2/c1-2-17-11(18)6-7-12(17,19)9-4-3-5-10(8-9)13(14,15)16/h3-5,8,19H,2,6-7H2,1H3

InChIKey

ZZYOSARVKQOTEO-UHFFFAOYSA-N

Compound name

1-ethyl-5-hydroxy-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 273.09766 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	274.10494	165.0
[M+Na]+	296.08688	172.8
[M+NH4]+	291.13148	170.8
[M+K]+	312.06082	167.9
[M-H]-	272.09038	161.8
[M+Na-2H]-	294.07233	168.8
[M]+	273.09711	164.9
[M]-	273.09821	164.9

Literature stripe

literature stripe

Patent stripe

patents stripe