CID 10154096

1,4-cyclohexanedicarboxaldehyde

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

836
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 127.8
[M+Na]+ 163.07294 134.0
[M-H]- 139.07644 130.9
[M+NH4]+ 158.11754 149.3
[M+K]+ 179.04688 132.9
[M+H-H2O]+ 123.08098 122.7
[M+HCOO]- 185.08192 149.2
[M+CH3COO]- 199.09757 172.8
[M+Na-2H]- 161.05839 133.0
[M]+ 140.08317 124.9
[M]- 140.08427 124.9
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

patents stripe