CID 12309242

Ns00054032

Structural Information

Molecular Formula
C16H14
SMILES
C1[C@@H]2[C@@H](CC3=CC=CC=C23)C4=CC=CC=C41
InChI
InChI=1S/C16H14/c1-3-7-13-11(5-1)9-15-14-8-4-2-6-12(14)10-16(13)15/h1-8,15-16H,9-10H2/t15-,16-/m0/s1
InChIKey
WAOYYDRELAGSPG-HOTGVXAUSA-N
Compound name
(4bR,9bR)-4b,5,9b,10-tetrahydroindeno[2,1-a]indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.10954 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.116816 145.8
[M+Na]+ 229.098758 155.2
[M-H]- 205.102264 152.5
[M+NH4]+ 224.143363 171.6
[M+K]+ 245.072698 149.5
[M+H-H2O]+ 189.106800 140.5
[M+HCOO]- 251.107741 167.7
[M+CH3COO]- 265.123391 159.7
[M+Na-2H]- 227.084206 150.9
[M]+ 206.10899142 145.3
[M]- 206.11008858 145.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.