CID 178134

Aloracetam

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂

SMILES

CC1=CC(=C(N1CCNC(=O)C)C)C=O

InChI

InChI=1S/C11H16N2O2/c1-8-6-11(7-14)9(2)13(8)5-4-12-10(3)15/h6-7H,4-5H2,1-3H3,(H,12,15)

InChIKey

ZUQSGZULKDDMEW-UHFFFAOYSA-N

Compound name

N-[2-(3-formyl-2,5-dimethylpyrrol-1-yl)ethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 162
Patents: 208.12119 Da
Monoisotopic Mass: 0.2
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]+	209.128466	146.7
[M+Na]+	231.110408	155.4
[M-H]-	207.113914	149.6
[M+NH4]+	226.155013	166.5
[M+K]+	247.084348	153.3
[M+H-H2O]+	191.118450	140.4
[M+HCOO]-	253.119391	170.9
[M+CH3COO]-	267.135041	190.9
[M+Na-2H]-	229.095856	148.7
[M]+	208.12064142	149.7
[M]-	208.12173858	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe