CID 23496622

Cyclohexane-1,3-dicarbaldehyde

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CC(CC(C1)C=O)C=O
InChI
InChI=1S/C8H12O2/c9-5-7-2-1-3-8(4-7)6-10/h5-8H,1-4H2
InChIKey
WHKHKMGAZGBKCK-UHFFFAOYSA-N
Compound name
cyclohexane-1,3-dicarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

587
Patents

140.08372 Da
Monoisotopic Mass

0.5
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.