CID 54246762

165735-65-9

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	193.06078	135.3
[M+Na]+	215.04272	148.7
[M+NH4]+	210.08732	144.0
[M+K]+	231.01666	147.5
[M-H]-	191.04622	140.5
[M+Na-2H]-	213.02817	141.1
[M]+	192.05295	138.5
[M]-	192.05405	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe