CID 3021807

M-toluamide, 2-propoxy-

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

CCCOC1=C(C=CC=C1C(=O)N)C

InChI

InChI=1S/C11H15NO2/c1-3-7-14-10-8(2)5-4-6-9(10)11(12)13/h4-6H,3,7H2,1-2H3,(H2,12,13)

InChIKey

KOPJTACKPRAAQP-UHFFFAOYSA-N

Compound name

3-methyl-2-propoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 193.11028 Da
Monoisotopic Mass: 2.0
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]+	194.11756	142.5
[M+Na]+	216.09950	150.1
[M-H]-	192.10300	146.0
[M+NH4]+	211.14410	161.9
[M+K]+	232.07344	148.2
[M+H-H2O]+	176.10754	136.4
[M+HCOO]-	238.10848	166.5
[M+CH3COO]-	252.12413	187.9
[M+Na-2H]-	214.08495	146.2
[M]+	193.10973	143.7
[M]-	193.11083	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe