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

362
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 146.7
[M+Na]+ 231.09916 153.8
[M-H]- 207.10266 150.3
[M+NH4]+ 226.14376 166.3
[M+K]+ 247.07310 151.7
[M+H-H2O]+ 191.10720 141.6
[M+HCOO]- 253.10814 168.6
[M+CH3COO]- 267.12379 185.5
[M+Na-2H]- 229.08461 148.9
[M]+ 208.10939 148.4
[M]- 208.11049 148.4
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

patents stripe