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]+ 285.27883 180.2
[M+Na]+ 307.26077 182.2
[M-H]- 283.26427 178.5
[M+NH4]+ 302.30537 196.1
[M+K]+ 323.23471 180.5
[M+H-H2O]+ 267.26881 173.7
[M+HCOO]- 329.26975 197.7
[M+CH3COO]- 343.28540 208.1
[M+Na-2H]- 305.24622 177.0
[M]+ 284.27100 186.2
[M]- 284.27210 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.