CID 3015123

Sodium 2-(2-butoxyethoxy)ethyl sulphate

Structural Information

Molecular Formula
C8H18O6S
SMILES
CCCCOCCOCCOS(=O)(=O)O
InChI
InChI=1S/C8H18O6S/c1-2-3-4-12-5-6-13-7-8-14-15(9,10)11/h2-8H2,1H3,(H,9,10,11)
InChIKey
CVWNBJZVNLGBAL-UHFFFAOYSA-N
Compound name
2-(2-butoxyethoxy)ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

242.08241 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08969 151.4
[M+Na]+ 265.07163 157.5
[M-H]- 241.07513 149.9
[M+NH4]+ 260.11623 168.5
[M+K]+ 281.04557 156.6
[M+H-H2O]+ 225.07967 145.9
[M+HCOO]- 287.08061 167.9
[M+CH3COO]- 301.09626 185.1
[M+Na-2H]- 263.05708 154.8
[M]+ 242.08186 160.3
[M]- 242.08296 160.3
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