CID 56936006

2,6-dimethyl-5-heptenyl nonanoate

Structural Information

Molecular Formula
C18H36O2
SMILES
CCCCCCCCC(=O)OCC(C)CCCC(C)C
InChI
InChI=1S/C18H36O2/c1-5-6-7-8-9-10-14-18(19)20-15-17(4)13-11-12-16(2)3/h16-17H,5-15H2,1-4H3
InChIKey
BLWHBJVGTIOHNE-UHFFFAOYSA-N
Compound name
2,6-dimethylheptyl nonanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.27155 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.278826 180.2
[M+Na]+ 307.260768 182.2
[M-H]- 283.264274 178.5
[M+NH4]+ 302.305373 196.1
[M+K]+ 323.234708 180.5
[M+H-H2O]+ 267.268810 173.7
[M+HCOO]- 329.269751 197.7
[M+CH3COO]- 343.285401 208.1
[M+Na-2H]- 305.246216 177.0
[M]+ 284.27100142 186.2
[M]- 284.27209858 186.2
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.