CID 24628

7790-07-0

Structural Information

Molecular Formula
C22H42O6
SMILES
CCC(CC)COCCOC(=O)CCCCC(=O)OCCOCC(CC)CC
InChI
InChI=1S/C22H42O6/c1-5-19(6-2)17-25-13-15-27-21(23)11-9-10-12-22(24)28-16-14-26-18-20(7-3)8-4/h19-20H,5-18H2,1-4H3
InChIKey
VHCPQIOKWWQIRV-UHFFFAOYSA-N
Compound name
bis[2-(2-ethylbutoxy)ethyl] hexanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

402.29813 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.30541 202.7
[M+Na]+ 425.28735 216.9
[M+NH4]+ 420.33195 219.0
[M+K]+ 441.26129 214.7
[M-H]- 401.29085 207.0
[M+Na-2H]- 423.27280 199.5
[M]+ 402.29758 213.5
[M]- 402.29868 213.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe