CID 134864158

Chebi:197420

Structural Information

Molecular Formula
C16H20O5
SMILES
C/C=C/CCCCC/C=C/C1=C(C(=O)OC1=O)CC(=O)O
InChI
InChI=1S/C16H20O5/c1-2-3-4-5-6-7-8-9-10-12-13(11-14(17)18)16(20)21-15(12)19/h2-3,9-10H,4-8,11H2,1H3,(H,17,18)/b3-2+,10-9+
InChIKey
LIFIIRLVOKVXIZ-SCIPBJTFSA-N
Compound name
2-[4-[(1E,8E)-deca-1,8-dienyl]-2,5-dioxofuran-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.13107 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.13835 168.0
[M+Na]+ 315.12029 174.6
[M-H]- 291.12379 170.3
[M+NH4]+ 310.16489 183.5
[M+K]+ 331.09423 171.4
[M+H-H2O]+ 275.12833 162.4
[M+HCOO]- 337.12927 188.0
[M+CH3COO]- 351.14492 199.5
[M+Na-2H]- 313.10574 166.9
[M]+ 292.13052 172.5
[M]- 292.13162 172.5
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

No patent data available for this compound.