CID 44146804

189047-80-1

Structural Information

Molecular Formula
C26H50O8
SMILES
CCCCOCC(C)OCC(C)OC(=O)CCCCC(=O)OC(C)COC(C)COCCCC
InChI
InChI=1S/C26H50O8/c1-7-9-15-29-17-21(3)31-19-23(5)33-25(27)13-11-12-14-26(28)34-24(6)20-32-22(4)18-30-16-10-8-2/h21-24H,7-20H2,1-6H3
InChIKey
LHMOIGUJIOPIGA-UHFFFAOYSA-N
Compound name
bis[1-(1-butoxypropan-2-yloxy)propan-2-yl] hexanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

490.35056 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.35784 236.9
[M+Na]+ 513.33978 236.8
[M+NH4]+ 508.38438 242.6
[M+K]+ 529.31372 236.3
[M-H]- 489.34328 230.0
[M+Na-2H]- 511.32523 239.6
[M]+ 490.35001 235.5
[M]- 490.35111 235.5
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