CID 166339

72845-89-7

Structural Information

Molecular Formula
C19H39NO5S
SMILES
CCCCC(CC)CN(CCS(=O)(=O)O)C(=O)OCC(CC)CCCC
InChI
InChI=1S/C19H39NO5S/c1-5-9-11-17(7-3)15-20(13-14-26(22,23)24)19(21)25-16-18(8-4)12-10-6-2/h17-18H,5-16H2,1-4H3,(H,22,23,24)
InChIKey
SKGWNZVJQSBJEX-UHFFFAOYSA-N
Compound name
2-[2-ethylhexoxycarbonyl(2-ethylhexyl)amino]ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

393.25488 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.26216 198.1
[M+Na]+ 416.24410 200.9
[M+NH4]+ 411.28870 216.9
[M+K]+ 432.21804 196.4
[M-H]- 392.24760 193.5
[M+Na-2H]- 414.22955 195.0
[M]+ 393.25433 197.0
[M]- 393.25543 197.0
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

No patent data available for this compound.