CID 69491

Octanedial

Structural Information

Molecular Formula
C8H14O2
SMILES
C(CCCC=O)CCC=O
InChI
InChI=1S/C8H14O2/c9-7-5-3-1-2-4-6-8-10/h7-8H,1-6H2
InChIKey
OADYBSJSJUFUBR-UHFFFAOYSA-N
Compound name
octanedial
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2359
Patents

142.09938 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 130.7
[M+Na]+ 165.088598 137.7
[M-H]- 141.092104 130.7
[M+NH4]+ 160.133203 152.4
[M+K]+ 181.062538 136.7
[M+H-H2O]+ 125.096640 125.9
[M+HCOO]- 187.097581 154.7
[M+CH3COO]- 201.113231 175.4
[M+Na-2H]- 163.074046 136.9
[M]+ 142.09883142 134.3
[M]- 142.09992858 134.3
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

patents stripe