CID 84312

Dodeca-4,8-dienedioic acid

Structural Information

Molecular Formula
C12H18O4
SMILES
C(CC=CCCC(=O)O)C=CCCC(=O)O
InChI
InChI=1S/C12H18O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h3-6H,1-2,7-10H2,(H,13,14)(H,15,16)
InChIKey
WPSFKKQQTBEENR-UHFFFAOYSA-N
Compound name
dodeca-4,8-dienedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

226.12051 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.127786 154.3
[M+Na]+ 249.109728 158.9
[M-H]- 225.113234 150.9
[M+NH4]+ 244.154333 170.8
[M+K]+ 265.083668 155.7
[M+H-H2O]+ 209.117770 149.0
[M+HCOO]- 271.118711 172.9
[M+CH3COO]- 285.134361 184.8
[M+Na-2H]- 247.095176 154.7
[M]+ 226.11996142 155.5
[M]- 226.12105858 155.5
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

patents stripe