CID 105303

C12-alkyl-4-ethoxy-sulfate

Structural Information

Molecular Formula
C20H42O8S
SMILES
CCCCCCCCCCCCOCCOCCOCCOCCOS(=O)(=O)O
InChI
InChI=1S/C20H42O8S/c1-2-3-4-5-6-7-8-9-10-11-12-24-13-14-25-15-16-26-17-18-27-19-20-28-29(21,22)23/h2-20H2,1H3,(H,21,22,23)
InChIKey
ACSZGWVXTPNMNT-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

442.26004 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.26732 206.8
[M+Na]+ 465.24926 217.0
[M-H]- 441.25276 203.2
[M+NH4]+ 460.29386 215.5
[M+K]+ 481.22320 204.6
[M+H-H2O]+ 425.25730 198.5
[M+HCOO]- 487.25824 229.6
[M+CH3COO]- 501.27389 224.3
[M+Na-2H]- 463.23471 205.5
[M]+ 442.25949 218.4
[M]- 442.26059 218.4
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