CID 5276616

8-hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone

Structural Information

Molecular Formula

C₁₂H₁₀O₄

SMILES

CC1=CC2=C(C(=C1)O)C(=O)C(=CC2=O)OC

InChI

InChI=1S/C12H10O4/c1-6-3-7-8(13)5-10(16-2)12(15)11(7)9(14)4-6/h3-5,14H,1-2H3

InChIKey

KDBWUCIHUALFON-UHFFFAOYSA-N

Compound name

8-hydroxy-2-methoxy-6-methylnaphthalene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 218.0579 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]+	219.06518	141.3
[M+Na]+	241.04712	152.4
[M-H]-	217.05062	145.8
[M+NH4]+	236.09172	161.2
[M+K]+	257.02106	149.6
[M+H-H2O]+	201.05516	136.1
[M+HCOO]-	263.05610	163.1
[M+CH3COO]-	277.07175	188.2
[M+Na-2H]-	239.03257	146.6
[M]+	218.05735	144.3
[M]-	218.05845	144.3

Literature stripe

literature stripe

Patent stripe

patents stripe