CID 81936

7434-40-4

Structural Information

Molecular Formula
C20H38O6
SMILES
CCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCC
InChI
InChI=1S/C20H38O6/c1-3-5-7-9-11-19(21)25-17-15-23-13-14-24-16-18-26-20(22)12-10-8-6-4-2/h3-18H2,1-2H3
InChIKey
GCDUWJFWXVRGSM-UHFFFAOYSA-N
Compound name
2-[2-(2-heptanoyloxyethoxy)ethoxy]ethyl heptanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6102
Patents

374.26685 Da
Monoisotopic Mass

4.6
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

literature stripe

Patent stripe

patents stripe