CID 7786

106-06-9

Structural Information

Molecular Formula
C24H46O6
SMILES
CCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCCC
InChI
InChI=1S/C24H46O6/c1-3-5-7-9-11-13-15-23(25)29-21-19-27-17-18-28-20-22-30-24(26)16-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChIKey
UBQXQCCAPASFJR-UHFFFAOYSA-N
Compound name
2-[2-(2-nonanoyloxyethoxy)ethoxy]ethyl nonanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

794
Patents

430.32944 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.336716 217.6
[M+Na]+ 453.318658 224.2
[M-H]- 429.322164 207.5
[M+NH4]+ 448.363263 221.4
[M+K]+ 469.292598 220.2
[M+H-H2O]+ 413.326700 206.4
[M+HCOO]- 475.327641 228.3
[M+CH3COO]- 489.343291 230.7
[M+Na-2H]- 451.304106 210.5
[M]+ 430.32889142 219.3
[M]- 430.32998858 219.3
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