CID 118105

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

Structural Information

Molecular Formula
C18H30O3
SMILES
C=CCCCCCCCCCCCCC1CC(=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/h2,16H,1,3-15H2
InChIKey
AXFMGCDLSGAENA-UHFFFAOYSA-N
Compound name
3-tetradec-13-enyloxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

294.21948 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.22676 175.7
[M+Na]+ 317.20870 179.8
[M-H]- 293.21220 178.1
[M+NH4]+ 312.25330 191.8
[M+K]+ 333.18264 176.8
[M+H-H2O]+ 277.21674 169.3
[M+HCOO]- 339.21768 195.3
[M+CH3COO]- 353.23333 205.1
[M+Na-2H]- 315.19415 174.7
[M]+ 294.21893 180.3
[M]- 294.22003 180.3
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