CID 614549

2670-23-7

Structural Information

Molecular Formula

C₁₆H₁₆O₂

SMILES

CC1=C(CC2C(C1)C(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C16H16O2/c1-9-7-13-14(8-10(9)2)16(18)12-6-4-3-5-11(12)15(13)17/h3-6,13-14H,7-8H2,1-2H3

InChIKey

YFXCHAUHDMOLPI-UHFFFAOYSA-N

Compound name

2,3-dimethyl-1,4,4a,9a-tetrahydroanthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 240.11504 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]+	241.122316	151.3
[M+Na]+	263.104258	160.5
[M-H]-	239.107764	156.9
[M+NH4]+	258.148863	171.7
[M+K]+	279.078198	156.0
[M+H-H2O]+	223.112300	145.0
[M+HCOO]-	285.113241	169.5
[M+CH3COO]-	299.128891	196.9
[M+Na-2H]-	261.089706	155.8
[M]+	240.11449142	150.2
[M]-	240.11558858	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe