CID 518573

2h-pyran-2-one, tetrahydro-6-tridecyl-

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

222
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

literature stripe

Patent stripe

patents stripe