CID 518573

1227-51-6

Structural Information

Molecular Formula
C18H34O2
SMILES
CCCCCCCCCCCCCC1CCCC(=O)O1
InChI
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18(19)20-17/h17H,2-16H2,1H3
InChIKey
VVLRVPJYFLFSQG-UHFFFAOYSA-N
Compound name
6-tridecyloxan-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

172
Patents

282.2559 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.26318 175.5
[M+Na]+ 305.24512 177.2
[M-H]- 281.24862 177.2
[M+NH4]+ 300.28972 190.0
[M+K]+ 321.21906 175.0
[M+H-H2O]+ 265.25316 168.2
[M+HCOO]- 327.25410 192.4
[M+CH3COO]- 341.26975 203.9
[M+Na-2H]- 303.23057 176.1
[M]+ 282.25535 177.6
[M]- 282.25645 177.6
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.