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]+ 211.16927 153.2
[M+Na]+ 233.15121 158.5
[M-H]- 209.15471 152.6
[M+NH4]+ 228.19581 172.4
[M+K]+ 249.12515 156.1
[M+H-H2O]+ 193.15925 147.8
[M+HCOO]- 255.16019 175.0
[M+CH3COO]- 269.17584 188.4
[M+Na-2H]- 231.13666 155.5
[M]+ 210.16144 157.2
[M]- 210.16254 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.