CID 54441367

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

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

4
Patents

177.05383 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06111 131.0
[M+Na]+ 200.04305 142.3
[M-H]- 176.04655 134.5
[M+NH4]+ 195.08765 150.6
[M+K]+ 216.01699 140.9
[M+H-H2O]+ 160.05109 125.4
[M+HCOO]- 222.05203 152.0
[M+CH3COO]- 236.06768 145.3
[M+Na-2H]- 198.02850 139.2
[M]+ 177.05328 132.4
[M]- 177.05438 132.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe