CID 11974181

7e,10-undecadien-4-olide

Structural Information

Molecular Formula
C11H16O2
SMILES
C=CC/C=C/CCC1CCC(=O)O1
InChI
InChI=1S/C11H16O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h2,4-5,10H,1,3,6-9H2/b5-4+
InChIKey
HJDZYWXQLPUPGM-SNAWJCMRSA-N
Compound name
5-[(3E)-hepta-3,6-dienyl]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.11504 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 141.5
[M+Na]+ 203.10426 147.8
[M-H]- 179.10776 144.9
[M+NH4]+ 198.14886 162.0
[M+K]+ 219.07820 146.1
[M+H-H2O]+ 163.11230 136.4
[M+HCOO]- 225.11324 163.3
[M+CH3COO]- 239.12889 180.1
[M+Na-2H]- 201.08971 144.8
[M]+ 180.11449 141.6
[M]- 180.11559 141.6
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.