CID 5363120

68555-65-7

Structural Information

Molecular Formula
C11H18O2
SMILES
CC/C=C\CC/C=C/COC(=O)C
InChI
InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h4-5,8-9H,3,6-7,10H2,1-2H3/b5-4-,9-8+
InChIKey
UHONGPVFPQQOSO-FTGFODROSA-N
Compound name
[(2E,6Z)-nona-2,6-dienyl] acetate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

92
Patents

182.13068 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.13796 144.0
[M+Na]+ 205.11990 150.1
[M-H]- 181.12340 143.7
[M+NH4]+ 200.16450 164.3
[M+K]+ 221.09384 148.2
[M+H-H2O]+ 165.12794 139.0
[M+HCOO]- 227.12888 166.4
[M+CH3COO]- 241.14453 182.4
[M+Na-2H]- 203.10535 147.3
[M]+ 182.13013 147.2
[M]- 182.13123 147.2
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