CID 3023766

Ns00066474

Structural Information

Molecular Formula
C11H18O2
SMILES
CCC(=O)OC1CCCC=CCC1
InChI
InChI=1S/C11H18O2/c1-2-11(12)13-10-8-6-4-3-5-7-9-10/h3-4,10H,2,5-9H2,1H3
InChIKey
GYPGHUSMHOALCO-UHFFFAOYSA-N
Compound name
cyclooct-4-en-1-yl propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.13068 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 147.3
[M+Na]+ 205.119898 151.2
[M-H]- 181.123404 148.8
[M+NH4]+ 200.164503 156.2
[M+K]+ 221.093838 151.9
[M+H-H2O]+ 165.127940 143.8
[M+HCOO]- 227.128881 156.4
[M+CH3COO]- 241.144531 221.3
[M+Na-2H]- 203.105346 147.4
[M]+ 182.13013142 146.4
[M]- 182.13122858 146.4
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

No patent data available for this compound.