CID 91995

56049-85-5

Structural Information

Molecular Formula
C22H46O7S
SMILES
CCCCCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)O
InChI
InChI=1S/C22H46O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-17-18-27-19-20-28-21-22-29-30(23,24)25/h2-22H2,1H3,(H,23,24,25)
InChIKey
XDPFLTIKEUVMJO-UHFFFAOYSA-N
Compound name
2-[2-(2-hexadecoxyethoxy)ethoxy]ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

454.29642 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.30370 213.2
[M+Na]+ 477.28564 221.8
[M-H]- 453.28914 206.5
[M+NH4]+ 472.33024 219.4
[M+K]+ 493.25958 209.4
[M+H-H2O]+ 437.29368 204.9
[M+HCOO]- 499.29462 233.4
[M+CH3COO]- 513.31027 228.1
[M+Na-2H]- 475.27109 210.7
[M]+ 454.29587 222.9
[M]- 454.29697 222.9
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