CID 3002898

2-isopropyl-8-nitro-quinoline

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₂

SMILES

CC(C)C1=NC2=C(C=CC=C2[N+](=O)[O-])C=C1

InChI

InChI=1S/C12H12N2O2/c1-8(2)10-7-6-9-4-3-5-11(14(15)16)12(9)13-10/h3-8H,1-2H3

InChIKey

DTCQTRSGVRTWRL-UHFFFAOYSA-N

Compound name

8-nitro-2-propan-2-ylquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 216.08987 Da
Monoisotopic Mass: 2.8
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]+	217.097146	145.0
[M+Na]+	239.079088	152.6
[M-H]-	215.082594	148.5
[M+NH4]+	234.123693	162.6
[M+K]+	255.053028	145.9
[M+H-H2O]+	199.087130	142.6
[M+HCOO]-	261.088071	167.3
[M+CH3COO]-	275.103721	184.9
[M+Na-2H]-	237.064536	153.4
[M]+	216.08932142	144.3
[M]-	216.09041858	144.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.