CID 16714

2242-31-1

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CNCC1COC2=CC=CC=C2O1

InChI

InChI=1S/C10H13NO2/c1-11-6-8-7-12-9-4-2-3-5-10(9)13-8/h2-5,8,11H,6-7H2,1H3

InChIKey

RPZMFKMYOVWSQN-UHFFFAOYSA-N

Compound name

1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 124
Patents: 179.09464 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]+	180.10192	137.2
[M+Na]+	202.08386	150.1
[M+NH4]+	197.12846	146.7
[M+K]+	218.05780	143.8
[M-H]-	178.08736	143.4
[M+Na-2H]-	200.06931	143.1
[M]+	179.09409	140.8
[M]-	179.09519	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe