CID 4610239

2,9-dimethyl-5,6,11,12-tetrahydro-dibenzo(a,e)cyclooctene

Structural Information

Molecular Formula
C18H20
SMILES
CC1=CC2=C(CCC3=C(CC2)C=C(C=C3)C)C=C1
InChI
InChI=1S/C18H20/c1-13-3-5-15-7-8-16-6-4-14(2)12-18(16)10-9-17(15)11-13/h3-6,11-12H,7-10H2,1-2H3
InChIKey
KABDJPCQYZLATR-UHFFFAOYSA-N
Compound name
6,15-dimethyltricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.1565 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.16378 159.1
[M+Na]+ 259.14572 164.1
[M+NH4]+ 254.19032 162.7
[M+K]+ 275.11966 161.6
[M-H]- 235.14922 160.8
[M+Na-2H]- 257.13117 162.2
[M]+ 236.15595 160.4
[M]- 236.15705 160.4
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

No patent data available for this compound.