CID 11435258

2,4-dimethoxy-6-methylbenzonitrile

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

CC1=CC(=CC(=C1C#N)OC)OC

InChI

InChI=1S/C10H11NO2/c1-7-4-8(12-2)5-10(13-3)9(7)6-11/h4-5H,1-3H3

InChIKey

SGXRDFSVDJBEAU-UHFFFAOYSA-N

Compound name

2,4-dimethoxy-6-methylbenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 177.07898 Da
Monoisotopic Mass: 1.9
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]+	178.08626	135.2
[M+Na]+	200.06820	148.1
[M+NH4]+	195.11280	140.2
[M+K]+	216.04214	139.0
[M-H]-	176.07170	130.1
[M+Na-2H]-	198.05365	139.5
[M]+	177.07843	134.8
[M]-	177.07953	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe