CID 117614

Succinic acid, bis(2-(2-ethoxybutoxy)ethyl) ester

Structural Information

Molecular Formula
C20H38O6
SMILES
CCC(CC)COCCOC(=O)CCC(=O)OCCOCC(CC)CC
InChI
InChI=1S/C20H38O6/c1-5-17(6-2)15-23-11-13-25-19(21)9-10-20(22)26-14-12-24-16-18(7-3)8-4/h17-18H,5-16H2,1-4H3
InChIKey
XKBUCJYNRHGGOM-UHFFFAOYSA-N
Compound name
bis[2-(2-ethylbutoxy)ethyl] butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

374.26685 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.27413 198.2
[M+Na]+ 397.25607 199.2
[M-H]- 373.25957 196.1
[M+NH4]+ 392.30067 209.2
[M+K]+ 413.23001 199.2
[M+H-H2O]+ 357.26411 190.7
[M+HCOO]- 419.26505 209.7
[M+CH3COO]- 433.28070 220.8
[M+Na-2H]- 395.24152 193.3
[M]+ 374.26630 209.4
[M]- 374.26740 209.4
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