CID 106882

Alpha-sulfo 2-ethylhexyl laurate, ammonium salt

Structural Information

Molecular Formula
C20H40O5S
SMILES
CCCCCCCCCCC(C(=O)OCC(CC)CCCC)S(=O)(=O)O
InChI
InChI=1S/C20H40O5S/c1-4-7-9-10-11-12-13-14-16-19(26(22,23)24)20(21)25-17-18(6-3)15-8-5-2/h18-19H,4-17H2,1-3H3,(H,22,23,24)
InChIKey
RFNWEJBEKURGJE-UHFFFAOYSA-N
Compound name
1-(2-ethylhexoxy)-1-oxododecane-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

392.25964 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.26692 199.3
[M+Na]+ 415.24886 203.0
[M+NH4]+ 410.29346 211.7
[M+K]+ 431.22280 197.3
[M-H]- 391.25236 194.1
[M+Na-2H]- 413.23431 195.9
[M]+ 392.25909 198.2
[M]- 392.26019 198.2
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