CID 55264411

820974-76-3

Structural Information

Molecular Formula

C₁₁H₁₁NO

SMILES

COC1=CC=CC2=C1CCC2C#N

InChI

InChI=1S/C11H11NO/c1-13-11-4-2-3-9-8(7-12)5-6-10(9)11/h2-4,8H,5-6H2,1H3

InChIKey

XCPWFKMDMIRUAO-UHFFFAOYSA-N

Compound name

4-methoxy-2,3-dihydro-1H-indene-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 173.08406 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]+	174.091336	138.0
[M+Na]+	196.073278	149.5
[M-H]-	172.076784	142.2
[M+NH4]+	191.117883	159.3
[M+K]+	212.047218	144.4
[M+H-H2O]+	156.081320	126.3
[M+HCOO]-	218.082261	157.9
[M+CH3COO]-	232.097911	192.9
[M+Na-2H]-	194.058726	143.2
[M]+	173.08351142	133.8
[M]-	173.08460858	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe