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
3
Annotation Hits

0
References

237
Patents

210.1256 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.132876 148.4
[M+Na]+ 233.114818 154.9
[M-H]- 209.118324 152.1
[M+NH4]+ 228.159423 167.9
[M+K]+ 249.088758 153.8
[M+H-H2O]+ 193.122860 143.4
[M+HCOO]- 255.123801 169.1
[M+CH3COO]- 269.139451 187.8
[M+Na-2H]- 231.100266 149.4
[M]+ 210.12505142 150.2
[M]- 210.12614858 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