CID 11681105

(2s)-2-pentadecyl-2,3-dihydropyran-6-one

Structural Information

Molecular Formula
C20H36O2
SMILES
CCCCCCCCCCCCCCC[C@H]1CC=CC(=O)O1
InChI
InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(21)22-19/h15,18-19H,2-14,16-17H2,1H3/t19-/m0/s1
InChIKey
XHFKKMXWXSWHOZ-IBGZPJMESA-N
Compound name
(2S)-2-pentadecyl-2,3-dihydropyran-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.27155 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.27883 182.9
[M+Na]+ 331.26077 184.8
[M-H]- 307.26427 184.6
[M+NH4]+ 326.30537 196.5
[M+K]+ 347.23471 181.9
[M+H-H2O]+ 291.26881 175.1
[M+HCOO]- 353.26975 200.6
[M+CH3COO]- 367.28540 209.5
[M+Na-2H]- 329.24622 183.4
[M]+ 308.27100 187.1
[M]- 308.27210 187.1
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.