CID 116766

3,7-dimethyloctyl 3,3-dimethylacrylate

Structural Information

Molecular Formula
C15H28O2
SMILES
CC(C)CCCC(C)CCOC(=O)C=C(C)C
InChI
InChI=1S/C15H28O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h11-12,14H,6-10H2,1-5H3
InChIKey
FMHDHJRLIKZTQX-UHFFFAOYSA-N
Compound name
3,7-dimethyloctyl 3-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.20892 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.216196 164.4
[M+Na]+ 263.198138 167.9
[M-H]- 239.201644 163.6
[M+NH4]+ 258.242743 182.2
[M+K]+ 279.172078 166.9
[M+H-H2O]+ 223.206180 158.8
[M+HCOO]- 285.207121 182.3
[M+CH3COO]- 299.222771 198.5
[M+Na-2H]- 261.183586 161.8
[M]+ 240.20837142 167.9
[M]- 240.20946858 167.9
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.