CID 17180

2469-18-3

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CC(C1COC2=CC=CC=C2O1)N

InChI

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

InChIKey

AANTWDPFFAREMQ-UHFFFAOYSA-N

Compound name

1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
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]+	180.101916	138.1
[M+Na]+	202.083858	144.5
[M-H]-	178.087364	143.1
[M+NH4]+	197.128463	156.0
[M+K]+	218.057798	144.9
[M+H-H2O]+	162.091900	131.9
[M+HCOO]-	224.092841	157.3
[M+CH3COO]-	238.108491	182.9
[M+Na-2H]-	200.069306	146.0
[M]+	179.09409142	136.4
[M]-	179.09518858	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe