CID 3871127

613656-45-4

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CNCC1=CC2=C(C=C1)OCCO2

InChI

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

InChIKey

SAGRVQMJUPNRRB-UHFFFAOYSA-N

Compound name

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 179.09464 Da
Monoisotopic Mass: 1.2
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	136.5
[M+Na]+	202.08386	143.2
[M-H]-	178.08736	142.0
[M+NH4]+	197.12846	154.8
[M+K]+	218.05780	143.5
[M+H-H2O]+	162.09190	130.3
[M+HCOO]-	224.09284	157.4
[M+CH3COO]-	238.10849	182.6
[M+Na-2H]-	200.06931	146.8
[M]+	179.09409	136.5
[M]-	179.09519	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe