CID 11019790

Cucujolide viii

Structural Information

Molecular Formula
C12H20O2
SMILES
C1CCCCOC(=O)C/C=C\CCC1
InChI
InChI=1S/C12H20O2/c13-12-10-8-6-4-2-1-3-5-7-9-11-14-12/h6,8H,1-5,7,9-11H2/b8-6-
InChIKey
IWDWUDBQBAHLLF-VURMDHGXSA-N
Compound name
(4Z)-1-oxacyclotridec-4-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

196.14633 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15361 142.7
[M+Na]+ 219.13555 145.7
[M-H]- 195.13905 143.9
[M+NH4]+ 214.18015 157.4
[M+K]+ 235.10949 146.5
[M+H-H2O]+ 179.14359 140.0
[M+HCOO]- 241.14453 160.0
[M+CH3COO]- 255.16018 175.4
[M+Na-2H]- 217.12100 146.8
[M]+ 196.14578 134.1
[M]- 196.14688 134.1
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