CID 5354806

28928-97-4

Structural Information

Molecular Formula
C13H20O3
SMILES
CCCCCCC/C=C/C1CC(=O)OC1=O
InChI
InChI=1S/C13H20O3/c1-2-3-4-5-6-7-8-9-11-10-12(14)16-13(11)15/h8-9,11H,2-7,10H2,1H3/b9-8+
InChIKey
FGQUIQAGZLBOGL-CMDGGOBGSA-N
Compound name
3-[(E)-non-1-enyl]oxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

508
Patents

224.14125 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.14853 152.9
[M+Na]+ 247.13047 159.2
[M-H]- 223.13397 156.3
[M+NH4]+ 242.17507 171.9
[M+K]+ 263.10441 157.4
[M+H-H2O]+ 207.13851 147.5
[M+HCOO]- 269.13945 174.2
[M+CH3COO]- 283.15510 189.3
[M+Na-2H]- 245.11592 154.5
[M]+ 224.14070 155.6
[M]- 224.14180 155.6
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.