CID 10198658

2h-pyran-2-one, 6-decyltetrahydro-

Structural Information

Molecular Formula
C15H28O2
SMILES
CCCCCCCCCCC1CCCC(=O)O1
InChI
InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-11-14-12-10-13-15(16)17-14/h14H,2-13H2,1H3
InChIKey
LFWXXONRUYKFGX-UHFFFAOYSA-N
Compound name
6-decyloxan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

240.20892 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.216196 161.8
[M+Na]+ 263.198138 164.8
[M-H]- 239.201644 164.1
[M+NH4]+ 258.242743 178.1
[M+K]+ 279.172078 163.4
[M+H-H2O]+ 223.206180 155.1
[M+HCOO]- 285.207121 179.7
[M+CH3COO]- 299.222771 194.9
[M+Na-2H]- 261.183586 164.1
[M]+ 240.20837142 162.8
[M]- 240.20946858 162.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe