CID 6366379

3,7-dimethylocta-2,6-dienyl methacrylate

Structural Information

Molecular Formula
C14H22O2
SMILES
CC(=CCC/C(=C/COC(=O)C(=C)C)/C)C
InChI
InChI=1S/C14H22O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9H,3,6,8,10H2,1-2,4-5H3/b13-9+
InChIKey
DWJIEXRXQKFNAB-UKTHLTGXSA-N
Compound name
[(2E)-3,7-dimethylocta-2,6-dienyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

222.16199 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.16927 157.2
[M+Na]+ 245.15121 165.2
[M+NH4]+ 240.19581 162.6
[M+K]+ 261.12515 160.2
[M-H]- 221.15471 154.7
[M+Na-2H]- 243.13666 157.5
[M]+ 222.16144 157.2
[M]- 222.16254 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

patents stripe