CID 11052245

(2e,4e,6z)-methyl deca-2,4,6-trienoate

Structural Information

Molecular Formula
C11H16O2
SMILES
CCC/C=C\C=C\C=C\C(=O)OC
InChI
InChI=1S/C11H16O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h5-10H,3-4H2,1-2H3/b6-5-,8-7+,10-9+
InChIKey
DLNQRJFVXCCDKL-WJTNUVGISA-N
Compound name
methyl (2E,4E,6Z)-deca-2,4,6-trienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

180.11504 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 142.4
[M+Na]+ 203.10426 148.9
[M-H]- 179.10776 142.2
[M+NH4]+ 198.14886 162.8
[M+K]+ 219.07820 146.4
[M+H-H2O]+ 163.11230 137.5
[M+HCOO]- 225.11324 165.0
[M+CH3COO]- 239.12889 180.8
[M+Na-2H]- 201.08971 145.8
[M]+ 180.11449 144.8
[M]- 180.11559 144.8
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