CID 508466

Methyl 7-(2,2-dimethylpropanoyloxy)-3-oxo-nonanoate

Structural Information

Molecular Formula
C15H26O5
SMILES
CCC(CCCC(=O)CC(=O)OC)OC(=O)C(C)(C)C
InChI
InChI=1S/C15H26O5/c1-6-12(20-14(18)15(2,3)4)9-7-8-11(16)10-13(17)19-5/h12H,6-10H2,1-5H3
InChIKey
HASQLEZVJKNNCF-UHFFFAOYSA-N
Compound name
methyl 7-(2,2-dimethylpropanoyloxy)-3-oxononanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.178 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.18528 168.9
[M+Na]+ 309.16722 173.1
[M-H]- 285.17072 168.4
[M+NH4]+ 304.21182 184.8
[M+K]+ 325.14116 173.6
[M+H-H2O]+ 269.17526 163.7
[M+HCOO]- 331.17620 186.3
[M+CH3COO]- 345.19185 203.1
[M+Na-2H]- 307.15267 167.8
[M]+ 286.17745 175.7
[M]- 286.17855 175.7
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.