CID 10154096

Cyclohexane-1,4-dicarbaldehyde

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CC(CCC1C=O)C=O
InChI
InChI=1S/C8H12O2/c9-5-7-1-2-8(6-10)4-3-7/h5-8H,1-4H2
InChIKey
QWKLKVRIQGSSKF-UHFFFAOYSA-N
Compound name
cyclohexane-1,4-dicarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

767
Patents

140.08372 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 129.5
[M+Na]+ 163.07294 140.5
[M+NH4]+ 158.11754 138.1
[M+K]+ 179.04688 134.2
[M-H]- 139.07644 131.0
[M+Na-2H]- 161.05839 134.4
[M]+ 140.08317 131.2
[M]- 140.08427 131.2
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

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