CID 6437145

Einecs 267-313-4

Structural Information

Molecular Formula
C26H48O10
SMILES
CCCCCCCCCCOCCOCCOCCOCCOCCOCCOC(=O)/C=C/C(=O)O
InChI
InChI=1S/C26H48O10/c1-2-3-4-5-6-7-8-9-12-30-13-14-31-15-16-32-17-18-33-19-20-34-21-22-35-23-24-36-26(29)11-10-25(27)28/h10-11H,2-9,12-24H2,1H3,(H,27,28)/b11-10+
InChIKey
LNXMOXFFLALVDY-ZHACJKMWSA-N
Compound name
(E)-4-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.32477 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.33205 234.8
[M+Na]+ 543.31399 238.4
[M-H]- 519.31749 226.8
[M+NH4]+ 538.35859 239.4
[M+K]+ 559.28793 234.5
[M+H-H2O]+ 503.32203 236.3
[M+HCOO]- 565.32297 243.6
[M+CH3COO]- 579.33862 240.8
[M+Na-2H]- 541.29944 220.4
[M]+ 520.32422 235.3
[M]- 520.32532 235.3
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

No patent data available for this compound.