CID 13069187

6-nitro-2,3-dihydrobenzofuran-5-amine

Structural Information

Molecular Formula
C8H8N2O3
SMILES
C1COC2=CC(=C(C=C21)N)[N+](=O)[O-]
InChI
InChI=1S/C8H8N2O3/c9-6-3-5-1-2-13-8(5)4-7(6)10(11)12/h3-4H,1-2,9H2
InChIKey
BTYCNIIIWYDUOF-UHFFFAOYSA-N
Compound name
6-nitro-2,3-dihydro-1-benzofuran-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

180.0535 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06078 132.8
[M+Na]+ 203.04272 144.6
[M+NH4]+ 198.08732 141.6
[M+K]+ 219.01666 144.1
[M-H]- 179.04622 137.7
[M+Na-2H]- 201.02817 137.2
[M]+ 180.05295 135.6
[M]- 180.05405 135.6
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