CID 111438

5-decyltetrahydro-2h-pyran-2-one

Structural Information

Molecular Formula
C15H28O2
SMILES
CCCCCCCCCCC1CCC(=O)OC1
InChI
InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-14-11-12-15(16)17-13-14/h14H,2-13H2,1H3
InChIKey
WYUWHCDYSJXTHL-UHFFFAOYSA-N
Compound name
5-decyloxan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.20892 Da
Monoisotopic Mass

5.7
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.