CID 227823

64992-56-9

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₃

SMILES

CC1=C2C=C(C=C(C2=NC=C1)[N+](=O)[O-])OC

InChI

InChI=1S/C11H10N2O3/c1-7-3-4-12-11-9(7)5-8(16-2)6-10(11)13(14)15/h3-6H,1-2H3

InChIKey

KPCFAJYWXDJETH-UHFFFAOYSA-N

Compound name

6-methoxy-4-methyl-8-nitroquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 218.06914 Da
Monoisotopic Mass: 2.2
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]+	219.07642	143.7
[M+Na]+	241.05836	152.8
[M-H]-	217.06186	147.7
[M+NH4]+	236.10296	161.5
[M+K]+	257.03230	146.4
[M+H-H2O]+	201.06640	141.3
[M+HCOO]-	263.06734	167.5
[M+CH3COO]-	277.08299	184.3
[M+Na-2H]-	239.04381	153.2
[M]+	218.06859	145.0
[M]-	218.06969	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe