CID 71446841

1,3,5,7-tetramethylcycloocta-1,3,5,7-tetraene

Structural Information

Molecular Formula
C12H16
SMILES
CC1=CC(=CC(=CC(=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
InChIKey
XKORXPJTRSPQHR-UHFFFAOYSA-N
Compound name
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 144.5
[M+Na]+ 183.11442 150.8
[M-H]- 159.11792 147.0
[M+NH4]+ 178.15902 154.5
[M+K]+ 199.08836 150.8
[M+H-H2O]+ 143.12246 141.4
[M+HCOO]- 205.12340 155.6
[M+CH3COO]- 219.13905 222.3
[M+Na-2H]- 181.09987 145.4
[M]+ 160.12465 145.6
[M]- 160.12575 145.6
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.