CID 3023767

Ns00066475

Structural Information

Molecular Formula
C12H20O2
SMILES
CCCC(=O)OC1CCCC=CCC1
InChI
InChI=1S/C12H20O2/c1-2-8-12(13)14-11-9-6-4-3-5-7-10-11/h3-4,11H,2,5-10H2,1H3
InChIKey
XUEDLQFTUOWOOY-UHFFFAOYSA-N
Compound name
cyclooct-4-en-1-yl butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.14633 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.153606 149.6
[M+Na]+ 219.135548 153.3
[M-H]- 195.139054 151.0
[M+NH4]+ 214.180153 158.3
[M+K]+ 235.109488 153.9
[M+H-H2O]+ 179.143590 146.0
[M+HCOO]- 241.144531 158.6
[M+CH3COO]- 255.160181 222.6
[M+Na-2H]- 217.120996 149.4
[M]+ 196.14578142 148.9
[M]- 196.14687858 148.9
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.