CID 102903

Bis(2-ethylhexyl) succinate

Structural Information

Molecular Formula
C20H38O4
SMILES
CCCCC(CC)COC(=O)CCC(=O)OCC(CC)CCCC
InChI
InChI=1S/C20H38O4/c1-5-9-11-17(7-3)15-23-19(21)13-14-20(22)24-16-18(8-4)12-10-6-2/h17-18H,5-16H2,1-4H3
InChIKey
WMNULTDOANGXRT-UHFFFAOYSA-N
Compound name
bis(2-ethylhexyl) butanedioate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

10523
Patents

342.277 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.28428 193.5
[M+Na]+ 365.26622 194.7
[M-H]- 341.26972 191.5
[M+NH4]+ 360.31082 206.9
[M+K]+ 381.24016 193.5
[M+H-H2O]+ 325.27426 186.5
[M+HCOO]- 387.27520 210.1
[M+CH3COO]- 401.29085 217.0
[M+Na-2H]- 363.25167 188.3
[M]+ 342.27645 201.8
[M]- 342.27755 201.8
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