CID 16235

Atrolactamide

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CC(C1=CC=CC=C1)(C(=O)N)O

InChI

InChI=1S/C9H11NO2/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H2,10,11)

InChIKey

FWTXWYXPXGKVJG-UHFFFAOYSA-N

Compound name

2-hydroxy-2-phenylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1367
Patents: 165.07898 Da
Monoisotopic Mass: 0.4
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]+	166.08626	134.8
[M+Na]+	188.06820	145.0
[M+NH4]+	183.11280	142.2
[M+K]+	204.04214	140.9
[M-H]-	164.07170	135.6
[M+Na-2H]-	186.05365	140.6
[M]+	165.07843	136.2
[M]-	165.07953	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe