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

10
Patents

177.05383 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.061106 131.0
[M+Na]+ 200.043048 142.3
[M-H]- 176.046554 134.5
[M+NH4]+ 195.087653 150.6
[M+K]+ 216.016988 140.9
[M+H-H2O]+ 160.051090 125.4
[M+HCOO]- 222.052031 152.0
[M+CH3COO]- 236.067681 145.3
[M+Na-2H]- 198.028496 139.2
[M]+ 177.05328142 132.4
[M]- 177.05437858 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