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]+ 241.21620 161.8
[M+Na]+ 263.19814 164.8
[M-H]- 239.20164 164.1
[M+NH4]+ 258.24274 178.1
[M+K]+ 279.17208 163.4
[M+H-H2O]+ 223.20618 155.1
[M+HCOO]- 285.20712 179.7
[M+CH3COO]- 299.22277 194.9
[M+Na-2H]- 261.18359 164.1
[M]+ 240.20837 162.8
[M]- 240.20947 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.