CID 170122

38815-90-6

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
2
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 202.2
[M+Na]+ 395.31319 202.2
[M-H]- 371.31669 197.9
[M+NH4]+ 390.35779 204.8
[M+K]+ 411.28713 198.7
[M+H-H2O]+ 355.32123 194.3
[M+HCOO]- 417.32217 219.3
[M+CH3COO]- 431.33782 220.0
[M+Na-2H]- 393.29864 199.1
[M]+ 372.32342 212.1
[M]- 372.32452 212.1
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