CID 6174495

Cycloocten-1-yl acetate

Structural Information

Molecular Formula
C10H16O2
SMILES
CC(=O)O/C/1=C/CCCCCC1
InChI
InChI=1S/C10H16O2/c1-9(11)12-10-7-5-3-2-4-6-8-10/h7H,2-6,8H2,1H3/b10-7+
InChIKey
GCKRQQJBNDAYRT-JXMROGBWSA-N
Compound name
[(1E)-cycloocten-1-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

168.11504 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 140.6
[M+Na]+ 191.10426 144.1
[M+NH4]+ 186.14886 143.5
[M+K]+ 207.07820 143.7
[M-H]- 167.10776 141.2
[M+Na-2H]- 189.08971 143.9
[M]+ 168.11449 141.1
[M]- 168.11559 141.1
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