CID 54246762

(5-nitro-1-benzofuran-2-yl)methanamine

Structural Information

Molecular Formula
C9H8N2O3
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C=C(O2)CN
InChI
InChI=1S/C9H8N2O3/c10-5-8-4-6-3-7(11(12)13)1-2-9(6)14-8/h1-4H,5,10H2
InChIKey
QTUOOFZAKSGAQH-UHFFFAOYSA-N
Compound name
(5-nitro-1-benzofuran-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

192.0535 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.060776 135.3
[M+Na]+ 215.042718 144.5
[M-H]- 191.046224 141.1
[M+NH4]+ 210.087323 155.3
[M+K]+ 231.016658 139.0
[M+H-H2O]+ 175.050760 134.3
[M+HCOO]- 237.051701 162.7
[M+CH3COO]- 251.067351 178.2
[M+Na-2H]- 213.028166 145.4
[M]+ 192.05295142 136.1
[M]- 192.05404858 136.1
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