CID 87014

2-(hydroxymethyl)anthraquinone

Structural Information

Molecular Formula

C₁₅H₁₀O₃

SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)CO

InChI

InChI=1S/C15H10O3/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7,16H,8H2

InChIKey

JYKHAJGLEVKEAA-UHFFFAOYSA-N

Compound name

2-(hydroxymethyl)anthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 15
References: 379
Patents: 238.06299 Da
Monoisotopic Mass: 2.7
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]+	239.07027	149.6
[M+Na]+	261.05221	165.2
[M+NH4]+	256.09681	159.0
[M+K]+	277.02615	157.2
[M-H]-	237.05571	152.9
[M+Na-2H]-	259.03766	156.1
[M]+	238.06244	152.8
[M]-	238.06354	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe