CID 11160118

43213-61-2

Structural Information

Molecular Formula

C₁₁H₁₁NO

SMILES

C1CNCC2=C1OC3=CC=CC=C23

InChI

InChI=1S/C11H11NO/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1-4,12H,5-7H2

InChIKey

OGOWMVYFFWEWQT-UHFFFAOYSA-N

Compound name

1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 173.08406 Da
Monoisotopic Mass: 1.8
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	132.4
[M+Na]+	196.073278	141.5
[M-H]-	172.076784	135.9
[M+NH4]+	191.117883	153.4
[M+K]+	212.047218	138.2
[M+H-H2O]+	156.081320	126.4
[M+HCOO]-	218.082261	151.9
[M+CH3COO]-	232.097911	146.0
[M+Na-2H]-	194.058726	141.6
[M]+	173.08351142	131.0
[M]-	173.08460858	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe