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

60
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 132.7
[M+Na]+ 203.04272 140.3
[M-H]- 179.04622 137.8
[M+NH4]+ 198.08732 152.9
[M+K]+ 219.01666 135.4
[M+H-H2O]+ 163.05076 131.9
[M+HCOO]- 225.05170 157.5
[M+CH3COO]- 239.06735 175.7
[M+Na-2H]- 201.02817 141.5
[M]+ 180.05295 130.2
[M]- 180.05405 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