CID 23513054

C12-alkyl-6-ethoxy-sulfate

Structural Information

Molecular Formula
C24H50O10S
SMILES
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)O
InChI
InChI=1S/C24H50O10S/c1-2-3-4-5-6-7-8-9-10-11-12-28-13-14-29-15-16-30-17-18-31-19-20-32-21-22-33-23-24-34-35(25,26)27/h2-24H2,1H3,(H,25,26,27)
InChIKey
BNYUUDPIQXXNHL-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

530.31244 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.31972 237.0
[M+Na]+ 553.30166 236.7
[M-H]- 529.30516 224.5
[M+NH4]+ 548.34626 238.4
[M+K]+ 569.27560 234.3
[M+H-H2O]+ 513.30970 235.1
[M+HCOO]- 575.31064 249.4
[M+CH3COO]- 589.32629 239.4
[M+Na-2H]- 551.28711 220.2
[M]+ 530.31189 240.0
[M]- 530.31299 240.0
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