CID 165358683

Refchem:522592

Structural Information

Molecular Formula
C24H48O3
SMILES
CCCCCCCCCC1CC(OC(O1)CCCCCCCCC)OCC
InChI
InChI=1S/C24H48O3/c1-4-7-9-11-13-15-17-19-22-21-24(25-6-3)27-23(26-22)20-18-16-14-12-10-8-5-2/h22-24H,4-21H2,1-3H3
InChIKey
VTXRHHDUOQEWGK-UHFFFAOYSA-N
Compound name
4-ethoxy-2,6-di(nonyl)-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.36035 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.36763 208.2
[M+Na]+ 407.34957 208.1
[M-H]- 383.35307 209.7
[M+NH4]+ 402.39417 217.6
[M+K]+ 423.32351 206.4
[M+H-H2O]+ 367.35761 199.7
[M+HCOO]- 429.35855 222.1
[M+CH3COO]- 443.37420 225.7
[M+Na-2H]- 405.33502 205.8
[M]+ 384.35980 215.6
[M]- 384.36090 215.6
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.