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

21
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 177.3
[M+Na]+ 325.19854 179.9
[M-H]- 301.20204 174.3
[M+NH4]+ 320.24314 191.5
[M+K]+ 341.17248 178.4
[M+H-H2O]+ 285.20658 170.6
[M+HCOO]- 347.20752 195.9
[M+CH3COO]- 361.22317 203.6
[M+Na-2H]- 323.18399 176.2
[M]+ 302.20877 184.9
[M]- 302.20987 184.9
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