CID 108239

2,5-furandione, dihydro-3-(2-tetradecen-1-yl)-

Structural Information

Molecular Formula
C18H30O3
SMILES
CCCCCCCCCCCC=CCC1CC(=O)OC1=O
InChI
InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17(19)21-18(16)20/h12-13,16H,2-11,14-15H2,1H3
InChIKey
UCXPNVVUUNXKPX-UHFFFAOYSA-N
Compound name
3-tetradec-2-enyloxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

50
Patents

294.21948 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.226756 176.0
[M+Na]+ 317.208698 180.2
[M-H]- 293.212204 178.4
[M+NH4]+ 312.253303 192.1
[M+K]+ 333.182638 177.1
[M+H-H2O]+ 277.216740 169.6
[M+HCOO]- 339.217681 195.6
[M+CH3COO]- 353.233331 204.4
[M+Na-2H]- 315.194146 174.9
[M]+ 294.21893142 180.5
[M]- 294.22002858 180.5
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

patents stripe