CID 5369375

1,3,5,7-cyclooctatetraene-1-carboxaldehyde

Structural Information

Molecular Formula
C9H8O
SMILES
C\1=C\C=C/C(=C\C=C1)/C=O
InChI
InChI=1S/C9H8O/c10-8-9-6-4-2-1-3-5-7-9/h1-8H/b2-1-,3-1?,4-2?,5-3-,6-4-,7-5?,9-6?,9-7+
InChIKey
QWHLSJXJDKVIGT-GZBLUONOSA-N
Compound name
cyclooctatetraenecarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

132.05751 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.064786 135.8
[M+Na]+ 155.046728 141.5
[M-H]- 131.050234 138.0
[M+NH4]+ 150.091333 145.8
[M+K]+ 171.020668 141.8
[M+H-H2O]+ 115.054770 132.7
[M+HCOO]- 177.055711 147.6
[M+CH3COO]- 191.071361 217.4
[M+Na-2H]- 153.032176 138.6
[M]+ 132.05696142 136.3
[M]- 132.05805858 136.3
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.