CID 4649131

39034-24-7

Structural Information

Molecular Formula
C22H46O5
SMILES
CCCCCCCCCCCCCCOCCOCCOCCOCCO
InChI
InChI=1S/C22H46O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-24-17-19-26-21-22-27-20-18-25-16-14-23/h23H,2-22H2,1H3
InChIKey
OARYCGKAYBBHAM-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-tetradecoxyethoxy)ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

616
Patents

390.33453 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.34181 204.5
[M+Na]+ 413.32375 204.3
[M-H]- 389.32725 200.0
[M+NH4]+ 408.36835 209.2
[M+K]+ 429.29769 201.5
[M+H-H2O]+ 373.33179 196.2
[M+HCOO]- 435.33273 224.8
[M+CH3COO]- 449.34838 221.9
[M+Na-2H]- 411.30920 202.9
[M]+ 390.33398 217.2
[M]- 390.33508 217.2
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