CID 21843635

1645513-87-6

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CNCC1=CC2=C(C=C1)OCC2

InChI

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

InChIKey

BCYMJVQGRGNEAO-UHFFFAOYSA-N

Compound name

1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 163.09972 Da
Monoisotopic Mass: 1.3
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	132.9
[M+Na]+	186.08894	140.4
[M-H]-	162.09244	138.0
[M+NH4]+	181.13354	155.0
[M+K]+	202.06288	139.1
[M+H-H2O]+	146.09698	127.4
[M+HCOO]-	208.09792	156.7
[M+CH3COO]-	222.11357	179.9
[M+Na-2H]-	184.07439	140.9
[M]+	163.09917	132.9
[M]-	163.10027	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe