CID 260797

5h-[1,3]dioxolo[4,5-f]indole

Structural Information

Molecular Formula

SMILES

C1OC2=C(O1)C=C3C(=C2)C=CN3

InChI

InChI=1S/C9H7NO2/c1-2-10-7-4-9-8(3-6(1)7)11-5-12-9/h1-4,10H,5H2

InChIKey

HXCHORPNRVSDCD-UHFFFAOYSA-N

Compound name

5H-[1,3]dioxolo[4,5-f]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 502
Patents: 161.04768 Da
Monoisotopic Mass: 1.9
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]+	162.054956	126.6
[M+Na]+	184.036898	137.5
[M-H]-	160.040404	131.6
[M+NH4]+	179.081503	148.7
[M+K]+	200.010838	136.5
[M+H-H2O]+	144.044940	122.2
[M+HCOO]-	206.045881	148.3
[M+CH3COO]-	220.061531	141.8
[M+Na-2H]-	182.022346	135.8
[M]+	161.04713142	129.0
[M]-	161.04822858	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe