CID 116933

Dibutylcarbitol azelate

Structural Information

Molecular Formula
C25H48O8
SMILES
CCCCOCCOCCOC(=O)CCCCCCCC(=O)OCCOCCOCCCC
InChI
InChI=1S/C25H48O8/c1-3-5-14-28-16-18-30-20-22-32-24(26)12-10-8-7-9-11-13-25(27)33-23-21-31-19-17-29-15-6-4-2/h3-23H2,1-2H3
InChIKey
IQYDZWAEDOAKBK-UHFFFAOYSA-N
Compound name
bis[2-(2-butoxyethoxy)ethyl] nonanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

476.33493 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.34221 227.5
[M+Na]+ 499.32415 232.8
[M-H]- 475.32765 218.3
[M+NH4]+ 494.36875 232.7
[M+K]+ 515.29809 229.0
[M+H-H2O]+ 459.33219 230.0
[M+HCOO]- 521.33313 237.7
[M+CH3COO]- 535.34878 237.3
[M+Na-2H]- 497.30960 214.8
[M]+ 476.33438 229.1
[M]- 476.33548 229.1
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