CID 36219

5-nitroindoline

Structural Information

Molecular Formula

C₈H₈N₂O₂

SMILES

C1CNC2=C1C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C8H8N2O2/c11-10(12)7-1-2-8-6(5-7)3-4-9-8/h1-2,5,9H,3-4H2

InChIKey

WJQWYAJTPPYORB-UHFFFAOYSA-N

Compound name

5-nitro-2,3-dihydro-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 1047
Patents: 164.05858 Da
Monoisotopic Mass: 2.1
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]+	165.06586	130.0
[M+Na]+	187.04780	142.3
[M+NH4]+	182.09240	139.0
[M+K]+	203.02174	140.8
[M-H]-	163.05130	132.6
[M+Na-2H]-	185.03325	135.3
[M]+	164.05803	132.2
[M]-	164.05913	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe