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 160.2
[M+Na]+ 259.14572 165.4
[M-H]- 235.14922 162.7
[M+NH4]+ 254.19032 169.2
[M+K]+ 275.11966 163.9
[M+H-H2O]+ 219.15376 156.0
[M+HCOO]- 281.15470 168.6
[M+CH3COO]- 295.17035 164.9
[M+Na-2H]- 257.13117 160.5
[M]+ 236.15595 159.4
[M]- 236.15705 159.4
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.