CID 3020601

Bis(2-butoxyethyl) undecanedioate

Structural Information

Molecular Formula
C23H44O6
SMILES
CCCCOCCOC(=O)CCCCCCCCCC(=O)OCCOCCCC
InChI
InChI=1S/C23H44O6/c1-3-5-16-26-18-20-28-22(24)14-12-10-8-7-9-11-13-15-23(25)29-21-19-27-17-6-4-2/h3-21H2,1-2H3
InChIKey
QDDSVTIBJSLCJB-UHFFFAOYSA-N
Compound name
bis(2-butoxyethyl) undecanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.31378 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.321056 210.6
[M+Na]+ 439.302998 220.7
[M-H]- 415.306504 204.2
[M+NH4]+ 434.347603 217.7
[M+K]+ 455.276938 208.9
[M+H-H2O]+ 399.311040 202.2
[M+HCOO]- 461.311981 224.9
[M+CH3COO]- 475.327631 227.9
[M+Na-2H]- 437.288446 206.6
[M]+ 416.31323142 215.6
[M]- 416.31432858 215.6
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

No patent data available for this compound.