CID 12519776

Icx5600147

Structural Information

Molecular Formula

C₁₈H₁₈O₂

SMILES

C1CC2=C(C=CC(=C2)O)C3C1C4=C(CC3)C=C(C=C4)O

InChI

InChI=1S/C18H18O2/c19-13-3-7-15-11(9-13)1-5-17-16-8-4-14(20)10-12(16)2-6-18(15)17/h3-4,7-10,17-20H,1-2,5-6H2

InChIKey

WKSBLYZBEPGLTB-UHFFFAOYSA-N

Compound name

4b,5,6,10b,11,12-hexahydrochrysene-2,8-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.13068 Da
Monoisotopic Mass: 4.2
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]+	267.137956	158.1
[M+Na]+	289.119898	165.2
[M-H]-	265.123404	161.3
[M+NH4]+	284.164503	176.5
[M+K]+	305.093838	159.1
[M+H-H2O]+	249.127940	151.2
[M+HCOO]-	311.128881	171.9
[M+CH3COO]-	325.144531	168.7
[M+Na-2H]-	287.105346	164.2
[M]+	266.13013142	153.7
[M]-	266.13122858	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.