CID 20836120

14858-61-8

Structural Information

Molecular Formula
C20H42O5S
SMILES
CCCCCCCCCCCCCCCCCCOCCOS(=O)(=O)O
InChI
InChI=1S/C20H42O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-19-20-25-26(21,22)23/h2-20H2,1H3,(H,21,22,23)
InChIKey
MCDQYEUDJIBGFS-UHFFFAOYSA-N
Compound name
2-octadecoxyethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

270
Patents

394.2753 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.28258 200.7
[M+Na]+ 417.26452 205.4
[M+NH4]+ 412.30912 203.9
[M+K]+ 433.23846 197.3
[M-H]- 393.26802 196.5
[M+Na-2H]- 415.24997 198.3
[M]+ 394.27475 200.2
[M]- 394.27585 200.2
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