CID 6475136

(5e)-5-[(z)-oct-6-en-2,4-diynylidene]furan-2-one

Structural Information

Molecular Formula
C12H8O2
SMILES
C/C=C\C#CC#C/C=C/1\C=CC(=O)O1
InChI
InChI=1S/C12H8O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h2-3,8-10H,1H3/b3-2-,11-8+
InChIKey
KQBDGBICBAYCGE-IVAFBWBGSA-N
Compound name
(5E)-5-[(Z)-oct-6-en-2,4-diynylidene]furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

184.05243 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.059706 151.9
[M+Na]+ 207.041648 163.1
[M-H]- 183.045154 154.3
[M+NH4]+ 202.086253 165.3
[M+K]+ 223.015588 157.4
[M+H-H2O]+ 167.049690 137.8
[M+HCOO]- 229.050631 161.6
[M+CH3COO]- 243.066281 205.4
[M+Na-2H]- 205.027096 152.7
[M]+ 184.05188142 143.8
[M]- 184.05297858 143.8
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.