CID 4639427

Ceteth-3

Structural Information

Molecular Formula
C22H46O4
SMILES
CCCCCCCCCCCCCCCCOCCOCCOCCO
InChI
InChI=1S/C22H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-24-19-21-26-22-20-25-18-16-23/h23H,2-22H2,1H3
InChIKey
FSVRFCBLVIJHQY-UHFFFAOYSA-N
Compound name
2-[2-(2-hexadecoxyethoxy)ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1015
Patents

374.3396 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.34688 202.4
[M+Na]+ 397.32882 202.3
[M-H]- 373.33232 198.0
[M+NH4]+ 392.37342 213.9
[M+K]+ 413.30276 199.0
[M+H-H2O]+ 357.33686 194.4
[M+HCOO]- 419.33780 220.3
[M+CH3COO]- 433.35345 220.1
[M+Na-2H]- 395.31427 200.6
[M]+ 374.33905 213.7
[M]- 374.34015 213.7
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