CID 56192

2-ethoxy-3-methylbenzamide

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CCOC1=C(C=CC=C1C(=O)N)C

InChI

InChI=1S/C10H13NO2/c1-3-13-9-7(2)5-4-6-8(9)10(11)12/h4-6H,3H2,1-2H3,(H2,11,12)

InChIKey

NWXBZEXXYNLXMS-UHFFFAOYSA-N

Compound name

2-ethoxy-3-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 179.09464 Da
Monoisotopic Mass: 1.5
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]+	180.10192	138.3
[M+Na]+	202.08386	150.0
[M+NH4]+	197.12846	146.2
[M+K]+	218.05780	144.5
[M-H]-	178.08736	140.4
[M+Na-2H]-	200.06931	144.2
[M]+	179.09409	140.4
[M]-	179.09519	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe