CID 82606

Ns00053035

Structural Information

Molecular Formula
C16H26O2
SMILES
CC(=CCCC(=CCOC(=O)C(=C(C)C)C)C)C
InChI
InChI=1S/C16H26O2/c1-12(2)8-7-9-14(5)10-11-18-16(17)15(6)13(3)4/h8,10H,7,9,11H2,1-6H3
InChIKey
GLMOJOJHHPDUHX-UHFFFAOYSA-N
Compound name
3,7-dimethylocta-2,6-dienyl 2,3-dimethylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.19328 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.200556 165.0
[M+Na]+ 273.182498 168.7
[M-H]- 249.186004 164.3
[M+NH4]+ 268.227103 182.4
[M+K]+ 289.156438 166.8
[M+H-H2O]+ 233.190540 159.8
[M+HCOO]- 295.191481 182.1
[M+CH3COO]- 309.207131 199.2
[M+Na-2H]- 271.167946 160.9
[M]+ 250.19273142 166.8
[M]- 250.19382858 166.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.