CID 29939

21130-01-8

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CNCC1CC2=CC=CC=C2O1

InChI

InChI=1S/C10H13NO/c1-11-7-9-6-8-4-2-3-5-10(8)12-9/h2-5,9,11H,6-7H2,1H3

InChIKey

XVGKHRKVBNBRDF-UHFFFAOYSA-N

Compound name

1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 25
Patents: 163.09972 Da
Monoisotopic Mass: 1.6
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]+	164.10700	133.5
[M+Na]+	186.08894	145.4
[M+NH4]+	181.13354	143.5
[M+K]+	202.06288	140.5
[M-H]-	162.09244	138.1
[M+Na-2H]-	184.07439	139.3
[M]+	163.09917	136.5
[M]-	163.10027	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe