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
2
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]+ 417.28468 209.8
[M+Na]+ 439.26662 215.7
[M-H]- 415.27012 201.4
[M+NH4]+ 434.31122 212.4
[M+K]+ 455.24056 210.5
[M+H-H2O]+ 399.27466 198.1
[M+HCOO]- 461.27560 220.3
[M+CH3COO]- 475.29125 223.7
[M+Na-2H]- 437.25207 202.6
[M]+ 416.27685 210.1
[M]- 416.27795 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.