CID 109692

Decanedioic acid, 2-butoxyethyl ester

Structural Information

Molecular Formula
C16H30O5
SMILES
CCCCOCCOC(=O)CCCCCCCCC(=O)O
InChI
InChI=1S/C16H30O5/c1-2-3-12-20-13-14-21-16(19)11-9-7-5-4-6-8-10-15(17)18/h2-14H2,1H3,(H,17,18)
InChIKey
ZGCXNQBDICMZNA-UHFFFAOYSA-N
Compound name
10-(2-butoxyethoxy)-10-oxodecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

302.20932 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.21660 175.9
[M+Na]+ 325.19854 181.9
[M+NH4]+ 320.24314 179.5
[M+K]+ 341.17248 177.0
[M-H]- 301.20204 171.9
[M+Na-2H]- 323.18399 174.5
[M]+ 302.20877 175.0
[M]- 302.20987 175.0
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