CID 170122

Sodium [2-(octadecyloxy)ethoxy]acetate

Structural Information

Molecular Formula
C22H44O4
SMILES
CCCCCCCCCCCCCCCCCCOCCOCC(=O)O
InChI
InChI=1S/C22H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-19-20-26-21-22(23)24/h2-21H2,1H3,(H,23,24)
InChIKey
PYOQKNDWYLTXRD-UHFFFAOYSA-N
Compound name
2-(2-octadecoxyethoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

372.32397 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.33125 199.8
[M+Na]+ 395.31319 205.3
[M+NH4]+ 390.35779 209.8
[M+K]+ 411.28713 197.8
[M-H]- 371.31669 196.6
[M+Na-2H]- 393.29864 197.9
[M]+ 372.32342 199.2
[M]- 372.32452 199.2
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