CID 82329

Di-2-hexyloxyethyl succinate

Structural Information

Molecular Formula
C20H38O6
SMILES
CCCCCCOCCOC(=O)CCC(=O)OCCOCCCCCC
InChI
InChI=1S/C20H38O6/c1-3-5-7-9-13-23-15-17-25-19(21)11-12-20(22)26-18-16-24-14-10-8-6-4-2/h3-18H2,1-2H3
InChIKey
DSGIOCRYGRVGOW-UHFFFAOYSA-N
Compound name
bis(2-hexoxyethyl) butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

374.26685 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.27413 197.3
[M+Na]+ 397.25607 198.6
[M-H]- 373.25957 195.0
[M+NH4]+ 392.30067 206.5
[M+K]+ 413.23001 197.6
[M+H-H2O]+ 357.26411 189.4
[M+HCOO]- 419.26505 214.8
[M+CH3COO]- 433.28070 219.2
[M+Na-2H]- 395.24152 194.8
[M]+ 374.26630 209.8
[M]- 374.26740 209.8
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