CID 43519496

1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine dihydrochloride

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

C1COC2=C(O1)C=CC(=C2)C(CN)N

InChI

InChI=1S/C10H14N2O2/c11-6-8(12)7-1-2-9-10(5-7)14-4-3-13-9/h1-2,5,8H,3-4,6,11-12H2

InChIKey

OEFHGMCGKZAGBL-UHFFFAOYSA-N

Compound name

1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.10553 Da
Monoisotopic Mass: -0.4
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]+	195.112806	142.8
[M+Na]+	217.094748	148.3
[M-H]-	193.098254	147.2
[M+NH4]+	212.139353	159.3
[M+K]+	233.068688	148.3
[M+H-H2O]+	177.102790	136.1
[M+HCOO]-	239.103731	162.3
[M+CH3COO]-	253.119381	187.5
[M+Na-2H]-	215.080196	150.0
[M]+	194.10498142	139.5
[M]-	194.10607858	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.