CID 139597607

Ns00095177

Structural Information

Molecular Formula
C22H46O5
SMILES
CCCCCCCCCCCCOCC(C)OCC(C)OCCOCCO
InChI
InChI=1S/C22H46O5/c1-4-5-6-7-8-9-10-11-12-13-15-25-19-21(2)27-20-22(3)26-18-17-24-16-14-23/h21-23H,4-20H2,1-3H3
InChIKey
WEYVDWSOOZLGQI-UHFFFAOYSA-N
Compound name
2-[2-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.33453 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.341806 207.2
[M+Na]+ 413.323748 206.5
[M-H]- 389.327254 202.9
[M+NH4]+ 408.368353 211.8
[M+K]+ 429.297688 204.8
[M+H-H2O]+ 373.331790 199.1
[M+HCOO]- 435.332731 219.6
[M+CH3COO]- 449.348381 223.4
[M+Na-2H]- 411.309196 202.9
[M]+ 390.33398142 218.5
[M]- 390.33507858 218.5
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

No patent data available for this compound.