CID 53790925

Ns00127415

Structural Information

Molecular Formula

C₁₉H₁₆O₂

SMILES

CC1=CC2=C(C=CC3=C2C=CC(C3O)O)C4=CC=CC=C14

InChI

InChI=1S/C19H16O2/c1-11-10-17-14(13-5-3-2-4-12(11)13)6-7-16-15(17)8-9-18(20)19(16)21/h2-10,18-21H,1H3

InChIKey

FBTQOHSCSMDZOV-UHFFFAOYSA-N

Compound name

6-methyl-1,2-dihydrochrysene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 276.11502 Da
Monoisotopic Mass: 3.6
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]+	277.12230	161.0
[M+Na]+	299.10424	171.6
[M-H]-	275.10774	165.6
[M+NH4]+	294.14884	179.5
[M+K]+	315.07818	164.9
[M+H-H2O]+	259.11228	154.0
[M+HCOO]-	321.11322	178.7
[M+CH3COO]-	335.12887	173.0
[M+Na-2H]-	297.08969	168.8
[M]+	276.11447	161.7
[M]-	276.11557	161.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.