CID 6452738

2,5-furandione, 3-(hexapropenyl)dihydro-

Structural Information

Molecular Formula
C22H28O3
SMILES
C/C=C/C1C(=O)OC(=O)C1/C(=C(/C(/C=C/C)/C=C/C)\C=C\C)/C=C/C
InChI
InChI=1S/C22H28O3/c1-6-11-16(12-7-2)17(13-8-3)18(14-9-4)20-19(15-10-5)21(23)25-22(20)24/h6-16,19-20H,1-5H3/b11-6+,12-7+,13-8+,14-9+,15-10+,18-17+
InChIKey
FOVYFYOMMXKNIG-QZDMKUNZSA-N
Compound name
3-[(2E,4E,7E)-5,6-bis[(E)-prop-1-enyl]nona-2,4,7-trien-4-yl]-4-[(E)-prop-1-enyl]oxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.20386 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.21114 186.4
[M+Na]+ 363.19308 191.1
[M-H]- 339.19658 189.3
[M+NH4]+ 358.23768 200.9
[M+K]+ 379.16702 185.5
[M+H-H2O]+ 323.20112 181.0
[M+HCOO]- 385.20206 202.9
[M+CH3COO]- 399.21771 212.9
[M+Na-2H]- 361.17853 179.5
[M]+ 340.20331 187.1
[M]- 340.20441 187.1
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

No patent data available for this compound.