CID 116932

Dibutylcarbitol sebacate

Structural Information

Molecular Formula
C26H50O8
SMILES
CCCCOCCOCCOC(=O)CCCCCCCCC(=O)OCCOCCOCCCC
InChI
InChI=1S/C26H50O8/c1-3-5-15-29-17-19-31-21-23-33-25(27)13-11-9-7-8-10-12-14-26(28)34-24-22-32-20-18-30-16-6-4-2/h3-24H2,1-2H3
InChIKey
FBXNUYNATQIVEX-UHFFFAOYSA-N
Compound name
bis[2-(2-butoxyethoxy)ethyl] decanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

203
Patents

490.35056 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.35784 231.2
[M+Na]+ 513.33978 236.3
[M-H]- 489.34328 221.6
[M+NH4]+ 508.38438 236.4
[M+K]+ 529.31372 233.0
[M+H-H2O]+ 473.34782 233.6
[M+HCOO]- 535.34876 241.0
[M+CH3COO]- 549.36441 240.1
[M+Na-2H]- 511.32523 218.0
[M]+ 490.35001 232.8
[M]- 490.35111 232.8
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