CID 13708391

111506-26-4

Structural Information

Molecular Formula

C₁₀H₉NO₂

SMILES

C1COC2=C(O1)C=CC3=C2C=CN3

InChI

InChI=1S/C10H9NO2/c1-2-9-10(13-6-5-12-9)7-3-4-11-8(1)7/h1-4,11H,5-6H2

InChIKey

IUAUCKUPPITNHN-UHFFFAOYSA-N

Compound name

3,7-dihydro-2H-[1,4]dioxino[2,3-e]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 175.06332 Da
Monoisotopic Mass: 1.8
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]+	176.07060	130.7
[M+Na]+	198.05254	140.3
[M-H]-	174.05604	135.1
[M+NH4]+	193.09714	150.3
[M+K]+	214.02648	138.9
[M+H-H2O]+	158.06058	125.0
[M+HCOO]-	220.06152	149.9
[M+CH3COO]-	234.07717	144.8
[M+Na-2H]-	196.03799	141.2
[M]+	175.06277	131.1
[M]-	175.06387	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe