CID 556252

(2,7-octadien-1-yl)succinic anhydride

Structural Information

Molecular Formula
C12H16O3
SMILES
C=CCCCC=CCC1CC(=O)OC1=O
InChI
InChI=1S/C12H16O3/c1-2-3-4-5-6-7-8-10-9-11(13)15-12(10)14/h2,6-7,10H,1,3-5,8-9H2
InChIKey
XPIQJMUYUKAKNX-UHFFFAOYSA-N
Compound name
3-octa-2,7-dienyloxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

867
Patents

208.10994 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.11722 149.1
[M+Na]+ 231.09916 158.4
[M+NH4]+ 226.14376 155.4
[M+K]+ 247.07310 154.2
[M-H]- 207.10266 149.9
[M+Na-2H]- 229.08461 150.5
[M]+ 208.10939 150.2
[M]- 208.11049 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