CID 16870

2-dimethylamino-1,4-naphthoquinone

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

CN(C)C1=CC(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C12H11NO2/c1-13(2)10-7-11(14)8-5-3-4-6-9(8)12(10)15/h3-7H,1-2H3

InChIKey

OCDJBQCSKVSZHQ-UHFFFAOYSA-N

Compound name

2-(dimethylamino)naphthalene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 27
Patents: 201.07898 Da
Monoisotopic Mass: 1.9
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]+	202.08626	139.5
[M+Na]+	224.06820	148.6
[M-H]-	200.07170	146.0
[M+NH4]+	219.11280	160.6
[M+K]+	240.04214	146.7
[M+H-H2O]+	184.07624	133.3
[M+HCOO]-	246.07718	163.9
[M+CH3COO]-	260.09283	192.3
[M+Na-2H]-	222.05365	146.1
[M]+	201.07843	141.0
[M]-	201.07953	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe