CID 10976366

Cucujolide ix

Structural Information

Molecular Formula
C12H18O2
SMILES
C1CC/C=C\C/C=C\CC(=O)OCC1
InChI
InChI=1S/C12H18O2/c13-12-10-8-6-4-2-1-3-5-7-9-11-14-12/h1-2,6,8H,3-5,7,9-11H2/b2-1-,8-6-
InChIKey
IDCDKEUBOYQTFY-NGNAIVRQSA-N
Compound name
(4Z,7Z)-1-oxacyclotrideca-4,7-dien-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

194.13068 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 140.7
[M+Na]+ 217.11990 144.8
[M-H]- 193.12340 142.3
[M+NH4]+ 212.16450 155.6
[M+K]+ 233.09384 145.4
[M+H-H2O]+ 177.12794 138.1
[M+HCOO]- 239.12888 159.5
[M+CH3COO]- 253.14453 175.0
[M+Na-2H]- 215.10535 145.8
[M]+ 194.13013 133.6
[M]- 194.13123 133.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe