CID 6438202

Methyl (2e,6z)-dodeca-2,6-dienoate

Structural Information

Molecular Formula
C13H22O2
SMILES
CCCCC/C=C\CC/C=C/C(=O)OC
InChI
InChI=1S/C13H22O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7-,12-11+
InChIKey
IYSZVOVZPVKXIJ-OFALOCIGSA-N
Compound name
methyl (2E,6Z)-dodeca-2,6-dienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

210.16199 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.169266 153.2
[M+Na]+ 233.151208 158.5
[M-H]- 209.154714 152.6
[M+NH4]+ 228.195813 172.4
[M+K]+ 249.125148 156.1
[M+H-H2O]+ 193.159250 147.8
[M+HCOO]- 255.160191 175.0
[M+CH3COO]- 269.175841 188.4
[M+Na-2H]- 231.136656 155.5
[M]+ 210.16144142 157.2
[M]- 210.16253858 157.2
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

No patent data available for this compound.