CID 478336

Chembl62609

Structural Information

Molecular Formula

C₂₃H₂₈O₂

SMILES

CC1=CC2=C(C=C1O)C3(CC2(C)C)CC(C4=C3C=C(C(=C4)C)O)(C)C

InChI

InChI=1S/C23H28O2/c1-13-7-15-17(9-19(13)24)23(11-21(15,3)4)12-22(5,6)16-8-14(2)20(25)10-18(16)23/h7-10,24-25H,11-12H2,1-6H3

InChIKey

WDVMGVVMIHWWOF-UHFFFAOYSA-N

Compound name

1,1,1',1',6,6'-hexamethyl-3,3'-spirobi[2H-indene]-5,5'-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 240
Patents: 336.20892 Da
Monoisotopic Mass: 6.6
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]+	337.21620	180.3
[M+Na]+	359.19814	193.0
[M-H]-	335.20164	187.2
[M+NH4]+	354.24274	206.2
[M+K]+	375.17208	185.5
[M+H-H2O]+	319.20618	176.4
[M+HCOO]-	381.20712	197.1
[M+CH3COO]-	395.22277	192.7
[M+Na-2H]-	357.18359	181.1
[M]+	336.20837	182.8
[M]-	336.20947	182.8

Literature stripe

literature stripe

Patent stripe

patents stripe