CID 28316354

2-{10,13-dioxa-4,6-diazatricyclo[7.4.0.0,3,7]trideca-1(9),2,4,7-tetraen-5-yl}ethan-1-amine dihydrochloride

Structural Information

Molecular Formula

C₁₁H₁₃N₃O₂

SMILES

C1COC2=C(O1)C=C3C(=C2)N=C(N3)CCN

InChI

InChI=1S/C11H13N3O2/c12-2-1-11-13-7-5-9-10(6-8(7)14-11)16-4-3-15-9/h5-6H,1-4,12H2,(H,13,14)

InChIKey

IBIHUSDGFBEBTI-UHFFFAOYSA-N

Compound name

2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 219.10077 Da
Monoisotopic Mass: 0.6
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]+	220.108046	145.4
[M+Na]+	242.089988	154.6
[M-H]-	218.093494	147.9
[M+NH4]+	237.134593	161.4
[M+K]+	258.063928	152.2
[M+H-H2O]+	202.098030	138.2
[M+HCOO]-	264.098971	163.2
[M+CH3COO]-	278.114621	157.6
[M+Na-2H]-	240.075436	153.7
[M]+	219.10022142	145.5
[M]-	219.10131858	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.