CID 10244017

4,5-dihydroxy-1-methyl-anthraquinone

Structural Information

Molecular Formula

C₁₅H₁₀O₄

SMILES

CC1=C2C(=C(C=C1)O)C(=O)C3=C(C2=O)C=CC=C3O

InChI

InChI=1S/C15H10O4/c1-7-5-6-10(17)13-11(7)14(18)8-3-2-4-9(16)12(8)15(13)19/h2-6,16-17H,1H3

InChIKey

SRVOZHBUHVINKL-UHFFFAOYSA-N

Compound name

4,5-dihydroxy-1-methylanthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 254.0579 Da
Monoisotopic Mass: 3.1
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]+	255.065176	151.4
[M+Na]+	277.047118	162.8
[M-H]-	253.050624	155.6
[M+NH4]+	272.091723	170.0
[M+K]+	293.021058	158.0
[M+H-H2O]+	237.055160	145.7
[M+HCOO]-	299.056101	170.1
[M+CH3COO]-	313.071751	194.2
[M+Na-2H]-	275.032566	157.0
[M]+	254.05735142	152.7
[M]-	254.05844858	152.7

Literature stripe

literature stripe

Patent stripe

patents stripe