CID 6773

2-methylanthraquinone

Structural Information

Molecular Formula

C₁₅H₁₀O₂

SMILES

CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C15H10O2/c1-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16/h2-8H,1H3

InChIKey

NJWGQARXZDRHCD-UHFFFAOYSA-N

Compound name

2-methylanthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 39
References: 23446
Patents: 222.06808 Da
Monoisotopic Mass: 3.9
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]+	223.07536	145.8
[M+Na]+	245.05730	162.4
[M+NH4]+	240.10190	156.1
[M+K]+	261.03124	153.7
[M-H]-	221.06080	150.2
[M+Na-2H]-	243.04275	153.4
[M]+	222.06753	149.6
[M]-	222.06863	149.6

Literature stripe

literature stripe

Patent stripe

patents stripe