CID 54441367

24370-21-6

Structural Information

Molecular Formula

C₈H₇N₃O₂

SMILES

C1OC2=C(O1)C=C3C(=C2)NC(=N3)N

InChI

InChI=1S/C8H7N3O2/c9-8-10-4-1-6-7(13-3-12-6)2-5(4)11-8/h1-2H,3H2,(H3,9,10,11)

InChIKey

WOIHSHXQQGYBGM-UHFFFAOYSA-N

Compound name

5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 177.05383 Da
Monoisotopic Mass: 1.0
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]+	178.06111	132.2
[M+Na]+	200.04305	144.4
[M+NH4]+	195.08765	140.6
[M+K]+	216.01699	143.8
[M-H]-	176.04655	135.8
[M+Na-2H]-	198.02850	135.7
[M]+	177.05328	134.8
[M]-	177.05438	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe