CID 120200

2-allyloxy-3-methylbenzamide

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

CC1=C(C(=CC=C1)C(=O)N)OCC=C

InChI

InChI=1S/C11H13NO2/c1-3-7-14-10-8(2)5-4-6-9(10)11(12)13/h3-6H,1,7H2,2H3,(H2,12,13)

InChIKey

NFQUEVQQAVDQPM-UHFFFAOYSA-N

Compound name

3-methyl-2-prop-2-enoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 191.09464 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]+	192.10192	142.0
[M+Na]+	214.08386	153.6
[M+NH4]+	209.12846	149.4
[M+K]+	230.05780	147.7
[M-H]-	190.08736	143.8
[M+Na-2H]-	212.06931	147.5
[M]+	191.09409	143.9
[M]-	191.09519	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe