CID 138402800

Pentaglycol ether sulfate

Structural Information

Molecular Formula
C14H30O11S
SMILES
C(COCCOCCOCCOCCOCCOCCOS(=O)(=O)O)O
InChI
InChI=1S/C14H30O11S/c15-1-2-19-3-4-20-5-6-21-7-8-22-9-10-23-11-12-24-13-14-25-26(16,17)18/h15H,1-14H2,(H,16,17,18)
InChIKey
JDFRNFXDFNZJQH-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

406.15088 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.15816 185.5
[M+Na]+ 429.14010 201.4
[M-H]- 405.14360 193.0
[M+NH4]+ 424.18470 201.6
[M+K]+ 445.11404 186.9
[M+H-H2O]+ 389.14814 177.7
[M+HCOO]- 451.14908 216.2
[M+CH3COO]- 465.16473 210.9
[M+Na-2H]- 427.12555 187.8
[M]+ 406.15033 203.8
[M]- 406.15143 203.8
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