CID 2759653

2-(3-methoxyphenyl)ethylisocyanide

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

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

InChI

InChI=1S/C10H11NO/c1-11-7-6-9-4-3-5-10(8-9)12-2/h3-5,8H,6-7H2,2H3

InChIKey

RDJGHRDVQBMGKW-UHFFFAOYSA-N

Compound name

1-(2-isocyanoethyl)-3-methoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 161.08406 Da
Monoisotopic Mass: 2.2
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]+	162.091336	139.0
[M+Na]+	184.073278	148.6
[M-H]-	160.076784	141.1
[M+NH4]+	179.117883	157.1
[M+K]+	200.047218	140.8
[M+H-H2O]+	144.081320	131.6
[M+HCOO]-	206.082261	158.9
[M+CH3COO]-	220.097911	182.8
[M+Na-2H]-	182.058726	146.0
[M]+	161.08351142	132.6
[M]-	161.08460858	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe