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

56
Patents

180.0535 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.060776 132.7
[M+Na]+ 203.042718 140.3
[M-H]- 179.046224 137.8
[M+NH4]+ 198.087323 152.9
[M+K]+ 219.016658 135.4
[M+H-H2O]+ 163.050760 131.9
[M+HCOO]- 225.051701 157.5
[M+CH3COO]- 239.067351 175.7
[M+Na-2H]- 201.028166 141.5
[M]+ 180.05295142 130.2
[M]- 180.05404858 130.2
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