CID 216863

Brn 5811795

Structural Information

Molecular Formula

C₁₂H₁₃NO₃

SMILES

CC(=C)C(=O)OC1=CC=C(C=C1)NC(=O)C

InChI

InChI=1S/C12H13NO3/c1-8(2)12(15)16-11-6-4-10(5-7-11)13-9(3)14/h4-7H,1H2,2-3H3,(H,13,14)

InChIKey

PZJZQKCKFRXTMP-UHFFFAOYSA-N

Compound name

(4-acetamidophenyl) 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 36
Patents: 219.08954 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]+	220.09682	148.0
[M+Na]+	242.07876	154.3
[M-H]-	218.08226	151.7
[M+NH4]+	237.12336	166.0
[M+K]+	258.05270	152.9
[M+H-H2O]+	202.08680	141.6
[M+HCOO]-	264.08774	170.9
[M+CH3COO]-	278.10339	191.2
[M+Na-2H]-	240.06421	150.5
[M]+	219.08899	148.8
[M]-	219.09009	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe