CID 22355614

58402-37-2

Structural Information

Molecular Formula
C22H44O7
SMILES
CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCO
InChI
InChI=1S/C22H44O7/c1-2-3-4-5-6-7-8-9-10-11-22(24)29-21-20-28-19-18-27-17-16-26-15-14-25-13-12-23/h23H,2-21H2,1H3
InChIKey
ODGZOZAHFLIINP-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

420.30872 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.31600 208.2
[M+Na]+ 443.29794 219.2
[M-H]- 419.30144 203.5
[M+NH4]+ 438.34254 215.2
[M+K]+ 459.27188 206.2
[M+H-H2O]+ 403.30598 199.6
[M+HCOO]- 465.30692 226.1
[M+CH3COO]- 479.32257 225.0
[M+Na-2H]- 441.28339 205.6
[M]+ 420.30817 215.5
[M]- 420.30927 215.5
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