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]+ 185.05971 151.9
[M+Na]+ 207.04165 163.1
[M-H]- 183.04515 154.3
[M+NH4]+ 202.08625 165.3
[M+K]+ 223.01559 157.4
[M+H-H2O]+ 167.04969 137.8
[M+HCOO]- 229.05063 161.6
[M+CH3COO]- 243.06628 205.4
[M+Na-2H]- 205.02710 152.7
[M]+ 184.05188 143.8
[M]- 184.05298 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.