CID 96443

6-methyl-8-nitroquinoline

Structural Information

Molecular Formula

C₁₀H₈N₂O₂

SMILES

CC1=CC2=C(C(=C1)[N+](=O)[O-])N=CC=C2

InChI

InChI=1S/C10H8N2O2/c1-7-5-8-3-2-4-11-10(8)9(6-7)12(13)14/h2-6H,1H3

InChIKey

APXIIWAJZKHFIV-UHFFFAOYSA-N

Compound name

6-methyl-8-nitroquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 43
Patents: 188.05858 Da
Monoisotopic Mass: 1.8
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]+	189.065856	135.6
[M+Na]+	211.047798	144.5
[M-H]-	187.051304	139.5
[M+NH4]+	206.092403	154.5
[M+K]+	227.021738	137.7
[M+H-H2O]+	171.055840	133.5
[M+HCOO]-	233.056781	159.6
[M+CH3COO]-	247.072431	178.1
[M+Na-2H]-	209.033246	146.3
[M]+	188.05803142	134.8
[M]-	188.05912858	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe