CID 11030122

1,3,5,7-cyclooctatetraene, 1,3,5,7-tetramethyl-

Structural Information

Molecular Formula
C12H16
SMILES
C/C/1=C/C(=C\C(=C/C(=C1)/C)\C)/C
InChI
InChI=1S/C12H16/c1-9-5-10(2)7-12(4)8-11(3)6-9/h5-8H,1-4H3/b9-5-,9-6?,10-5?,10-7-,11-6-,11-8?,12-7?,12-8-
InChIKey
XKORXPJTRSPQHR-JGXACBOJSA-N
Compound name
(1Z,3Z,5Z,7Z)-1,3,5,7-tetramethylcycloocta-1,3,5,7-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.1252 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.13248 142.3
[M+Na]+ 183.11442 147.1
[M+NH4]+ 178.15902 145.6
[M+K]+ 199.08836 145.9
[M-H]- 159.11792 143.6
[M+Na-2H]- 181.09987 146.3
[M]+ 160.12465 143.4
[M]- 160.12575 143.4
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.