CID 79529

5447-86-9

Structural Information

Molecular Formula

C₁₆H₁₄O

SMILES

CC1(C2=CC=CC=C2C(=O)C3=CC=CC=C31)C

InChI

InChI=1S/C16H14O/c1-16(2)13-9-5-3-7-11(13)15(17)12-8-4-6-10-14(12)16/h3-10H,1-2H3

InChIKey

GWFCYDIAPRIMLA-UHFFFAOYSA-N

Compound name

10,10-dimethylanthracen-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 267
Patents: 222.10446 Da
Monoisotopic Mass: 4.6
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]+	223.11174	149.0
[M+Na]+	245.09368	165.6
[M+NH4]+	240.13828	161.4
[M+K]+	261.06762	154.2
[M-H]-	221.09718	154.0
[M+Na-2H]-	243.07913	158.5
[M]+	222.10391	153.3
[M]-	222.10501	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe