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]+ 237.163776 160.2
[M+Na]+ 259.145718 165.4
[M-H]- 235.149224 162.7
[M+NH4]+ 254.190323 169.2
[M+K]+ 275.119658 163.9
[M+H-H2O]+ 219.153760 156.0
[M+HCOO]- 281.154701 168.6
[M+CH3COO]- 295.170351 164.9
[M+Na-2H]- 257.131166 160.5
[M]+ 236.15595142 159.4
[M]- 236.15704858 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.