CID 16206165

1,1-dimethyl-5-methyleneheptyl isovalerate

Structural Information

Molecular Formula
C15H28O2
SMILES
CCC(=C)CCCC(C)(C)OC(=O)CC(C)C
InChI
InChI=1S/C15H28O2/c1-7-13(4)9-8-10-15(5,6)17-14(16)11-12(2)3/h12H,4,7-11H2,1-3,5-6H3
InChIKey
YOUZPPOBZXKXHX-UHFFFAOYSA-N
Compound name
(2-methyl-6-methylideneoctan-2-yl) 3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.20892 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.216196 162.4
[M+Na]+ 263.198138 166.5
[M-H]- 239.201644 161.8
[M+NH4]+ 258.242743 180.3
[M+K]+ 279.172078 165.5
[M+H-H2O]+ 223.206180 157.5
[M+HCOO]- 285.207121 179.8
[M+CH3COO]- 299.222771 198.6
[M+Na-2H]- 261.183586 162.0
[M]+ 240.20837142 166.3
[M]- 240.20946858 166.3
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.