CID 637866

Refchem:1093211

Structural Information

Molecular Formula
C8H8
SMILES
C\1=C\C=C/C=C\C=C1
InChI
InChI=1S/C8H8/c1-2-4-6-8-7-5-3-1/h1-8H/b2-1-,3-1?,4-2?,5-3-,6-4-,7-5?,8-6?,8-7-
InChIKey
KDUIUFJBNGTBMD-DLMDZQPMSA-N
Compound name
cyclooctatetraene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

133
References

14329
Patents

104.0626 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.069876 131.1
[M+Na]+ 127.051818 136.5
[M-H]- 103.055324 133.2
[M+NH4]+ 122.096423 141.6
[M+K]+ 143.025758 137.0
[M+H-H2O]+ 87.059860 128.2
[M+HCOO]- 149.060801 143.0
[M+CH3COO]- 163.076451 215.3
[M+Na-2H]- 125.037266 134.8
[M]+ 104.06205142 131.0
[M]- 104.06314858 131.0
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.