CID 3002897

2-cyclopentyl-8-nitro-quinoline

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₂

SMILES

C1CCC(C1)C2=NC3=C(C=CC=C3[N+](=O)[O-])C=C2

InChI

InChI=1S/C14H14N2O2/c17-16(18)13-7-3-6-11-8-9-12(15-14(11)13)10-4-1-2-5-10/h3,6-10H,1-2,4-5H2

InChIKey

MHFQENFTEYDRPD-UHFFFAOYSA-N

Compound name

2-cyclopentyl-8-nitroquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 242.10553 Da
Monoisotopic Mass: 3.2
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]+	243.112806	153.3
[M+Na]+	265.094748	159.1
[M-H]-	241.098254	159.3
[M+NH4]+	260.139353	170.9
[M+K]+	281.068688	151.3
[M+H-H2O]+	225.102790	149.9
[M+HCOO]-	287.103731	175.0
[M+CH3COO]-	301.119381	186.7
[M+Na-2H]-	263.080196	159.6
[M]+	242.10498142	149.0
[M]-	242.10607858	149.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.