CID 90783

Schembl868024

Structural Information

Molecular Formula
C10H16O2
SMILES
CC(=O)OC1CCCC=CCC1
InChI
InChI=1S/C10H16O2/c1-9(11)12-10-7-5-3-2-4-6-8-10/h2-3,10H,4-8H2,1H3
InChIKey
QWGXPNSOYZOCHH-UHFFFAOYSA-N
Compound name
cyclooct-4-en-1-yl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1225
Patents

168.11504 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 144.9
[M+Na]+ 191.104258 149.0
[M-H]- 167.107764 146.6
[M+NH4]+ 186.148863 154.2
[M+K]+ 207.078198 149.9
[M+H-H2O]+ 151.112300 141.6
[M+HCOO]- 213.113241 154.3
[M+CH3COO]- 227.128891 220.0
[M+Na-2H]- 189.089706 145.4
[M]+ 168.11449142 144.0
[M]- 168.11558858 144.0
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.