CID 102601030

Dihydro-3-(isononenyl)furan-2,5-dione

Structural Information

Molecular Formula
C13H20O3
SMILES
CC(C)CCCC/C=C/C1CC(=O)OC1=O
InChI
InChI=1S/C13H20O3/c1-10(2)7-5-3-4-6-8-11-9-12(14)16-13(11)15/h6,8,10-11H,3-5,7,9H2,1-2H3/b8-6+
InChIKey
JNBOXLYOTWAJDE-SOFGYWHQSA-N
Compound name
3-[(E)-7-methyloct-1-enyl]oxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.14125 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.14853 153.4
[M+Na]+ 247.13047 159.5
[M-H]- 223.13397 156.9
[M+NH4]+ 242.17507 172.3
[M+K]+ 263.10441 158.2
[M+H-H2O]+ 207.13851 148.2
[M+HCOO]- 269.13945 173.7
[M+CH3COO]- 283.15510 190.2
[M+Na-2H]- 245.11592 153.8
[M]+ 224.14070 155.4
[M]- 224.14180 155.4
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.