CID 247725

109591-76-6

Structural Information

Molecular Formula
C18H34O4
SMILES
CCCCCCCCCCCCCCOC(=O)CCC(=O)O
InChI
InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18(21)15-14-17(19)20/h2-16H2,1H3,(H,19,20)
InChIKey
LSWKXNPXIJXDHU-UHFFFAOYSA-N
Compound name
4-oxo-4-tetradecoxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1819
Patents

314.2457 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.25298 181.9
[M+Na]+ 337.23492 188.0
[M+NH4]+ 332.27952 185.8
[M+K]+ 353.20886 182.1
[M-H]- 313.23842 178.5
[M+Na-2H]- 335.22037 180.5
[M]+ 314.24515 181.3
[M]- 314.24625 181.3
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

patents stripe