CID 71343749

141454-85-5

Structural Information

Molecular Formula
C22H44O6
SMILES
CCCCCCCCCCCCCCOCCOCCOCCOCC(=O)O
InChI
InChI=1S/C22H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-25-15-16-26-17-18-27-19-20-28-21-22(23)24/h2-21H2,1H3,(H,23,24)
InChIKey
IWTTWPTXRWUSBK-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-tetradecoxyethoxy)ethoxy]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

404.31378 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.321056 206.2
[M+Na]+ 427.302998 205.9
[M-H]- 403.306504 199.4
[M+NH4]+ 422.347603 211.2
[M+K]+ 443.276938 203.7
[M+H-H2O]+ 387.311040 197.9
[M+HCOO]- 449.311981 222.7
[M+CH3COO]- 463.327631 223.8
[M+Na-2H]- 425.288446 203.5
[M]+ 404.31323142 212.3
[M]- 404.31432858 212.3
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