CID 55253075

1-(isocyanomethyl)-2,4-dimethoxybenzene

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

COC1=CC(=C(C=C1)C[N+]#[C-])OC

InChI

InChI=1S/C10H11NO2/c1-11-7-8-4-5-9(12-2)6-10(8)13-3/h4-6H,7H2,2-3H3

InChIKey

HQJIZYJJKXLFQM-UHFFFAOYSA-N

Compound name

1-(isocyanomethyl)-2,4-dimethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 177.07898 Da
Monoisotopic Mass: 2.1
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	136.2
[M+Na]+	200.06820	150.2
[M+NH4]+	195.11280	141.7
[M+K]+	216.04214	142.1
[M-H]-	176.07170	132.2
[M+Na-2H]-	198.05365	140.5
[M]+	177.07843	136.3
[M]-	177.07953	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe