CID 2733355

Dtxsid50704900

Structural Information

Molecular Formula
C20H18
SMILES
C1=CC=C2C(C=CC2=C1)CCC3C=CC4=CC=CC=C34
InChI
InChI=1S/C20H18/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18/h1-12,17-18H,13-14H2
InChIKey
CTWJQOQFTNPBCX-UHFFFAOYSA-N
Compound name
1-[2-(1H-inden-1-yl)ethyl]-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

704
Patents

258.14084 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14812 162.0
[M+Na]+ 281.13006 170.6
[M-H]- 257.13356 170.8
[M+NH4]+ 276.17466 184.4
[M+K]+ 297.10400 164.1
[M+H-H2O]+ 241.13810 155.4
[M+HCOO]- 303.13904 185.6
[M+CH3COO]- 317.15469 175.1
[M+Na-2H]- 279.11551 165.3
[M]+ 258.14029 163.0
[M]- 258.14139 163.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe