CID 38742

2,3-dimethyl-7-nitro-1h-indole

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

CC1=C(NC2=C1C=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C10H10N2O2/c1-6-7(2)11-10-8(6)4-3-5-9(10)12(13)14/h3-5,11H,1-2H3

InChIKey

ONCCVOJTXZBTDY-UHFFFAOYSA-N

Compound name

2,3-dimethyl-7-nitro-1H-indole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 81
Patents: 190.07423 Da
Monoisotopic Mass: 2.6
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]+	191.08151	136.7
[M+Na]+	213.06345	151.2
[M+NH4]+	208.10805	145.4
[M+K]+	229.03739	149.1
[M-H]-	189.06695	139.7
[M+Na-2H]-	211.04890	142.8
[M]+	190.07368	139.5
[M]-	190.07478	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe