CID 17841823

Potassium glycol sulfate

Structural Information

Molecular Formula
C2H6O5S
SMILES
C(COS(=O)(=O)O)O
InChI
InChI=1S/C2H6O5S/c3-1-2-7-8(4,5)6/h3H,1-2H2,(H,4,5,6)
InChIKey
GAPYETXMWCTXDQ-UHFFFAOYSA-N
Compound name
2-hydroxyethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1871
Patents

141.99359 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.00087 122.8
[M+Na]+ 164.98281 131.2
[M-H]- 140.98631 121.0
[M+NH4]+ 160.02741 143.2
[M+K]+ 180.95675 130.2
[M+H-H2O]+ 124.99085 118.9
[M+HCOO]- 186.99179 139.4
[M+CH3COO]- 201.00744 162.4
[M+Na-2H]- 162.96826 128.3
[M]+ 141.99304 126.1
[M]- 141.99414 126.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe