CID 6437561

66104-67-4

Structural Information

Molecular Formula
C22H40O7
SMILES
CCCCCCCCCCCCOCCOCCOCCOC(=O)/C=C\C(=O)O
InChI
InChI=1S/C22H40O7/c1-2-3-4-5-6-7-8-9-10-11-14-26-15-16-27-17-18-28-19-20-29-22(25)13-12-21(23)24/h12-13H,2-11,14-20H2,1H3,(H,23,24)/b13-12-
InChIKey
LSDNCMFQVGKKGP-SEYXRHQNSA-N
Compound name
(Z)-4-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

416.2774 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.284676 209.8
[M+Na]+ 439.266618 215.7
[M-H]- 415.270124 201.4
[M+NH4]+ 434.311223 212.4
[M+K]+ 455.240558 210.5
[M+H-H2O]+ 399.274660 198.1
[M+HCOO]- 461.275601 220.3
[M+CH3COO]- 475.291251 223.7
[M+Na-2H]- 437.252066 202.6
[M]+ 416.27685142 210.1
[M]- 416.27794858 210.1
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

No patent data available for this compound.