CID 5748778

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

Structural Information

Molecular Formula
C12H18O3
SMILES
CCCCC[C@@H](C=C)[C@@H]1CC(=O)OC1=O
InChI
InChI=1S/C12H18O3/c1-3-5-6-7-9(4-2)10-8-11(13)15-12(10)14/h4,9-10H,2-3,5-8H2,1H3/t9-,10+/m1/s1
InChIKey
RYNKSPIWLXKJHG-ZJUUUORDSA-N
Compound name
(3S)-3-[(3S)-oct-1-en-3-yl]oxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

233
Patents

210.1256 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.13288 148.4
[M+Na]+ 233.11482 154.9
[M-H]- 209.11832 152.1
[M+NH4]+ 228.15942 167.9
[M+K]+ 249.08876 153.8
[M+H-H2O]+ 193.12286 143.4
[M+HCOO]- 255.12380 169.1
[M+CH3COO]- 269.13945 187.8
[M+Na-2H]- 231.10027 149.4
[M]+ 210.12505 150.2
[M]- 210.12615 150.2
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