CID 9218

Nsc 92516

Structural Information

Molecular Formula

SMILES

C1OC2C=C3C=CN=C3C=C2O1

InChI

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

InChIKey

BGUGGEACYAZDOQ-UHFFFAOYSA-N

Compound name

8aH-[1,3]dioxolo[4,5-f]indole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 161.04768 Da
Monoisotopic Mass: 0.3
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]+	162.05496	128.4
[M+Na]+	184.03690	141.4
[M+NH4]+	179.08150	138.4
[M+K]+	200.01084	139.4
[M-H]-	160.04040	133.0
[M+Na-2H]-	182.02235	132.9
[M]+	161.04713	131.6
[M]-	161.04823	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.